N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine

C24H36N4O2 — CID 68784815

IUPACN-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)n1
InChIInChI=1S/C24H36N4O2/c1-16(2)29-22-12-20(13-23(14-22)30-17(3)4)15-28-9-7-21(8-10-28)27-24-25-18(5)11-19(6)26-24/h11-14,16-17,21H,7-10,15H2,1-6H3,(H,25,26,27)
InChIKeyXXCLSMCPYZSRJJ-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.74
Rot. Bonds8

About N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine

N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 68784815) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine
PubChem CID68784815
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)n1
InChIInChI=1S/C24H36N4O2/c1-16(2)29-22-12-20(13-23(14-22)30-17(3)4)15-28-9-7-21(8-10-28)27-24-25-18(5)11-19(6)26-24/h11-14,16-17,21H,7-10,15H2,1-6H3,(H,25,26,27)
InChIKeyXXCLSMCPYZSRJJ-UHFFFAOYSA-N
XLogP4.74
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazol-2-amine
CID 25132684
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
1-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1-(4,6-dimethylpyrimidin-2-yl)-2-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-2-pyrimidin-2-ylhydrazine
CID 69151641
2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide
CID 66912229
2-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671273
6-chloro-N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-5-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 87286611
4-amino-2-[[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]pyrimidine-5-carbonitrile
CID 68779068
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109319778
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
1-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,2-bis[5-(4-methoxyphenyl)pyrimidin-2-yl]-2-piperidin-4-ylhydrazine
CID 68963001
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117084092
2-N-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671359

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine (CID 68784815) is N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)n1.
What is the InChIKey of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is XXCLSMCPYZSRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-16(2)29-22-12-20(13-23(14-22)30-17(3)4)15-28-9-7-21(8-10-28)27-24-25-18(5)11-19(6)26-24/h11-14,16-17,21H,7-10,15H2,1-6H3,(H,25,26,27).
What are the key properties of N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine?
N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 412.58 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 68784815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).