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

C23H25N5O — CID 112854128

IUPAC(3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
SMILESCC1CCCN(C(=O)c2cc(NCc3ccncc3)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C23H25N5O/c1-17-6-5-13-28(16-17)23(29)20-14-21(25-15-18-9-11-24-12-10-18)27-22(26-20)19-7-3-2-4-8-19/h2-4,7-12,14,17H,5-6,13,15-16H2,1H3,(H,25,26,27)
InChIKeyZPSAQWIZYPOZLP-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.02
Rot. Bonds5

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

(3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 112854128) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID112854128
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name(3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
SMILESCC1CCCN(C(=O)c2cc(NCc3ccncc3)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C23H25N5O/c1-17-6-5-13-28(16-17)23(29)20-14-21(25-15-18-9-11-24-12-10-18)27-22(26-20)19-7-3-2-4-8-19/h2-4,7-12,14,17H,5-6,13,15-16H2,1H3,(H,25,26,27)
InChIKeyZPSAQWIZYPOZLP-UHFFFAOYSA-N
XLogP4.02
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109350170
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109330133
(4-methylpiperidin-1-yl)-[6-(2-methylpropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112852344
[6-(benzylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364262
[6-[(3-methylphenyl)methylamino]-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853478
azepan-1-yl-[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112854359
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109329891
(6-anilino-2-phenylpyrimidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 112853073
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone (CID 112854128) is (3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone is CC1CCCN(C(=O)c2cc(NCc3ccncc3)nc(-c3ccccc3)n2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is ZPSAQWIZYPOZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-6-5-13-28(16-17)23(29)20-14-21(25-15-18-9-11-24-12-10-18)27-22(26-20)19-7-3-2-4-8-19/h2-4,7-12,14,17H,5-6,13,15-16H2,1H3,(H,25,26,27).
What are the key properties of (3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone has a molecular weight of 387.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-phenyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 112854128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).