5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C28H37N7O — CID 144555010

IUPAC5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C)cc3)cn2CCN2CC3(COC3)C2)CC1
InChIInChI=1S/C28H37N7O/c1-3-23-25(29)30-19-31-27(23)34-10-8-22(9-11-34)26-32-24(21-6-4-20(2)5-7-21)14-35(26)13-12-33-15-28(16-33)17-36-18-28/h4-7,14,19,22H,3,8-13,15-18H2,1-2H3,(H2,29,30,31)
InChIKeyUBIPWPSYMBIELN-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.51
Rot. Bonds7

About 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 144555010) has the molecular formula C28H37N7O and a molecular weight of 487.65 g/mol. Its IUPAC name is 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID144555010
Molecular FormulaC28H37N7O
Molecular Weight487.65 g/mol
Exact Mass487.31
IUPAC Name5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C)cc3)cn2CCN2CC3(COC3)C2)CC1
InChIInChI=1S/C28H37N7O/c1-3-23-25(29)30-19-31-27(23)34-10-8-22(9-11-34)26-32-24(21-6-4-20(2)5-7-21)14-35(26)13-12-33-15-28(16-33)17-36-18-28/h4-7,14,19,22H,3,8-13,15-18H2,1-2H3,(H2,29,30,31)
InChIKeyUBIPWPSYMBIELN-UHFFFAOYSA-N
XLogP3.51
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

SB-242235
CID 9863367
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464113
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
4-(7-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-neopentylpyrimidin-2-amine
CID 44432003
4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-fluoro-3-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
CID 89443028
6-[4-[1-[2-(Azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-chloropyrimidin-4-amine
CID 117704688
(S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 44344609
7-Methyl-5-morpholino-2-phenylimidazo[1,2-a]pyrimidine
CID 1472740

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 144555010) is 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C)cc3)cn2CCN2CC3(COC3)C2)CC1.
What is the InChIKey of 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is UBIPWPSYMBIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O/c1-3-23-25(29)30-19-31-27(23)34-10-8-22(9-11-34)26-32-24(21-6-4-20(2)5-7-21)14-35(26)13-12-33-15-28(16-33)17-36-18-28/h4-7,14,19,22H,3,8-13,15-18H2,1-2H3,(H2,29,30,31).
What are the key properties of 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 487.65 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[4-[4-(4-methylphenyl)-1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 144555010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).