4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine

C93H153N11O5 — CID 157486563

IUPAC4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine
SMILESCC(C)(C)c1cc(NC2CCC2)nc(N2CCNCC2)c1.CC(C)CCCOc1ccc(C(C)(C)C)cc1.CCCCCOc1ccc(C(C)(C)C)cc1.CCNCCCOc1ccc(C(C)(C)C)cc1.CN1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1.CNCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N4.C16H27N5O.C16H26O.C15H25NO.C15H24O.C14H23NO/c1-17(2,3)13-11-15(19-14-5-4-6-14)20-16(12-13)21-9-7-18-8-10-21;1-16(2,3)13-9-14(17-12-10-22-11-12)19-15(18-13)21-7-5-20(4)6-8-21;1-13(2)7-6-12-17-15-10-8-14(9-11-15)16(3,4)5;1-5-16-11-6-12-17-14-9-7-13(8-10-14)15(2,3)4;1-5-6-7-12-16-14-10-8-13(9-11-14)15(2,3)4;1-14(2,3)12-6-8-13(9-7-12)16-11-5-10-15-4/h11-12,14,18H,4-10H2,1-3H3,(H,19,20);9,12H,5-8,10-11H2,1-4H3,(H,17,18,19);8-11,13H,6-7,12H2,1-5H3;7-10,16H,5-6,11-12H2,1-4H3;8-11H,5-7,12H2,1-4H3;6-9,15H,5,10-11H2,1-4H3
InChIKeyBWTYTAFBMHXSBL-UHFFFAOYSA-N
MW1505.32 g/mol
LogP19.78
Rot. Bonds27

About 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine

4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine (PubChem CID 157486563) has the molecular formula C93H153N11O5 and a molecular weight of 1505.32 g/mol. Its IUPAC name is 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine
PubChem CID157486563
Molecular FormulaC93H153N11O5
Molecular Weight1505.32 g/mol
Exact Mass1504.21
IUPAC Name4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine
SMILESCC(C)(C)c1cc(NC2CCC2)nc(N2CCNCC2)c1.CC(C)CCCOc1ccc(C(C)(C)C)cc1.CCCCCOc1ccc(C(C)(C)C)cc1.CCNCCCOc1ccc(C(C)(C)C)cc1.CN1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1.CNCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N4.C16H27N5O.C16H26O.C15H25NO.C15H24O.C14H23NO/c1-17(2,3)13-11-15(19-14-5-4-6-14)20-16(12-13)21-9-7-18-8-10-21;1-16(2,3)13-9-14(17-12-10-22-11-12)19-15(18-13)21-7-5-20(4)6-8-21;1-13(2)7-6-12-17-15-10-8-14(9-11-15)16(3,4)5;1-5-16-11-6-12-17-14-9-7-13(8-10-14)15(2,3)4;1-5-6-7-12-16-14-10-8-13(9-11-14)15(2,3)4;1-14(2,3)12-6-8-13(9-7-12)16-11-5-10-15-4/h11-12,14,18H,4-10H2,1-3H3,(H,19,20);9,12H,5-8,10-11H2,1-4H3,(H,17,18,19);8-11,13H,6-7,12H2,1-5H3;7-10,16H,5-6,11-12H2,1-4H3;8-11H,5-7,12H2,1-4H3;6-9,15H,5,10-11H2,1-4H3
InChIKeyBWTYTAFBMHXSBL-UHFFFAOYSA-N
XLogP19.78
TPSA154.69 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001505.32
LogP ≤ 519.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-N-[(4-methoxyphenyl)methyl]-2-N-[4-[5-[4-[[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]amino]phenoxy]pentoxy]phenyl]-6-methylpyrimidine-2,4-diamine
CID 71519362
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine
CID 59703382
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-3,3-dimethylbutan-1-amine
CID 59703452
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-4-methylcyclohexan-1-amine
CID 59703472
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 59703473
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117082752
4-[2-(4-Diphenylmethylpiperazino)ethoxy]-2-(4-methoxyphenyl)-6-methylpyrimidine
CID 15383446
N'-cyclohexyl-N-[[4-[[[4-methyl-6-[4-(4-phenoxybutyl)piperazin-1-yl]pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 15603609
(2S)-N-[[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine
CID 16738119
N-[[5-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methyl]-1-methoxy-3-phenylpropan-2-amine
CID 57442154
2-methoxy-6-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 57636037
2-N-[4-[[2-(4-tert-butylphenoxy)ethylamino]methyl]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 57714555

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine?
The IUPAC name of 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine (CID 157486563) is 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine is CC(C)(C)c1cc(NC2CCC2)nc(N2CCNCC2)c1.CC(C)CCCOc1ccc(C(C)(C)C)cc1.CCCCCOc1ccc(C(C)(C)C)cc1.CCNCCCOc1ccc(C(C)(C)C)cc1.CN1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1.CNCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine?
The InChIKey is BWTYTAFBMHXSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.C16H27N5O.C16H26O.C15H25NO.C15H24O.C14H23NO/c1-17(2,3)13-11-15(19-14-5-4-6-14)20-16(12-13)21-9-7-18-8-10-21;1-16(2,3)13-9-14(17-12-10-22-11-12)19-15(18-13)21-7-5-20(4)6-8-21;1-13(2)7-6-12-17-15-10-8-14(9-11-15)16(3,4)5;1-5-16-11-6-12-17-14-9-7-13(8-10-14)15(2,3)4;1-5-6-7-12-16-14-10-8-13(9-11-14)15(2,3)4;1-14(2,3)12-6-8-13(9-7-12)16-11-5-10-15-4/h11-12,14,18H,4-10H2,1-3H3,(H,19,20);9,12H,5-8,10-11H2,1-4H3,(H,17,18,19);8-11,13H,6-7,12H2,1-5H3;7-10,16H,5-6,11-12H2,1-4H3;8-11H,5-7,12H2,1-4H3;6-9,15H,5,10-11H2,1-4H3.
What are the key properties of 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine?
4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine has a molecular weight of 1505.32 g/mol, XLogP of 19.78, 27 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-cyclobutyl-6-piperazin-1-ylpyridin-2-amine;1-tert-butyl-4-(4-methylpentoxy)benzene;6-tert-butyl-2-(4-methylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;1-tert-butyl-4-pentoxybenzene;3-(4-tert-butylphenoxy)-N-ethylpropan-1-amine;3-(4-tert-butylphenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 157486563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).