(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

C24H27N5O2 — CID 110091898

IUPAC(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C)nc(C3CCCN(C(=O)c4cc(C)nc(N)n4)C3)c2)cc1
InChIInChI=1S/C24H27N5O2/c1-15-11-19(17-6-8-20(31-3)9-7-17)13-21(26-15)18-5-4-10-29(14-18)23(30)22-12-16(2)27-24(25)28-22/h6-9,11-13,18H,4-5,10,14H2,1-3H3,(H2,25,27,28)
InChIKeyORTYJKDQJZOJAV-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.77
Rot. Bonds4

About (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone

(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110091898) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110091898
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C)nc(C3CCCN(C(=O)c4cc(C)nc(N)n4)C3)c2)cc1
InChIInChI=1S/C24H27N5O2/c1-15-11-19(17-6-8-20(31-3)9-7-17)13-21(26-15)18-5-4-10-29(14-18)23(30)22-12-16(2)27-24(25)28-22/h6-9,11-13,18H,4-5,10,14H2,1-3H3,(H2,25,27,28)
InChIKeyORTYJKDQJZOJAV-UHFFFAOYSA-N
XLogP3.77
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091884
N-[4-[(3R)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]phenyl]acetamide
CID 124940388
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 125019122
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823181
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
(4-ethylthiadiazol-5-yl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092300
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110091843
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110091860

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone (CID 110091898) is (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is COc1ccc(-c2cc(C)nc(C3CCCN(C(=O)c4cc(C)nc(N)n4)C3)c2)cc1.
What is the InChIKey of (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is ORTYJKDQJZOJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-11-19(17-6-8-20(31-3)9-7-17)13-21(26-15)18-5-4-10-29(14-18)23(30)22-12-16(2)27-24(25)28-22/h6-9,11-13,18H,4-5,10,14H2,1-3H3,(H2,25,27,28).
What are the key properties of (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone?
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 417.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110091898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).