(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone

C18H23N5O — CID 109330133

IUPAC(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)nc(NCc2ccncc2)n1
InChIInChI=1S/C18H23N5O/c1-13-4-3-9-23(12-13)17(24)16-10-14(2)21-18(22-16)20-11-15-5-7-19-8-6-15/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H,20,21,22)
InChIKeyBLVSBMUJYNMXJR-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.66
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 109330133) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID109330133
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)nc(NCc2ccncc2)n1
InChIInChI=1S/C18H23N5O/c1-13-4-3-9-23(12-13)17(24)16-10-14(2)21-18(22-16)20-11-15-5-7-19-8-6-15/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H,20,21,22)
InChIKeyBLVSBMUJYNMXJR-UHFFFAOYSA-N
XLogP2.66
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-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

(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109329891
1-[4-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326676
(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109350170
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
(3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 112854128
[2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109330682
[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334050
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334053
[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334024
[2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322458
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084
[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334052

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone (CID 109330133) is (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCCC(C)C2)nc(NCc2ccncc2)n1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is BLVSBMUJYNMXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-4-3-9-23(12-13)17(24)16-10-14(2)21-18(22-16)20-11-15-5-7-19-8-6-15/h5-8,10,13H,3-4,9,11-12H2,1-2H3,(H,20,21,22).
What are the key properties of (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109330133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).