[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

C27H27N7O — CID 124942858

IUPAC[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)c3cccc(-c4cncnc4)n3)C2)n1
InChIInChI=1S/C27H27N7O/c1-33(2)27-30-16-22(19-8-4-3-5-9-19)25(32-27)20-10-7-13-34(17-20)26(35)24-12-6-11-23(31-24)21-14-28-18-29-15-21/h3-6,8-9,11-12,14-16,18,20H,7,10,13,17H2,1-2H3/t20-/m1/s1
InChIKeyAYEQBHYQZOYQMW-HXUWFJFHSA-N
MW465.56 g/mol
LogP4.08
Rot. Bonds5

About [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone

[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (PubChem CID 124942858) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
PubChem CID124942858
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
SMILESCN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)c3cccc(-c4cncnc4)n3)C2)n1
InChIInChI=1S/C27H27N7O/c1-33(2)27-30-16-22(19-8-4-3-5-9-19)25(32-27)20-10-7-13-34(17-20)26(35)24-12-6-11-23(31-24)21-14-28-18-29-15-21/h3-6,8-9,11-12,14-16,18,20H,7,10,13,17H2,1-2H3/t20-/m1/s1
InChIKeyAYEQBHYQZOYQMW-HXUWFJFHSA-N
XLogP4.08
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone
CID 125002103
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
[3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110266472
[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 110266511
2-[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 110266436
1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110266461
2-[(3S)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92615344
N-[1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 124962169
[(3R)-3-[2-(dimethylamino)-5-(2-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92617503
[3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110151388
[3-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]pyrrolidin-1-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 127248713
cyclopentyl-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110266500

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The IUPAC name of [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone (CID 124942858) is [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)c3cccc(-c4cncnc4)n3)C2)n1.
What is the InChIKey of [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
The InChIKey is AYEQBHYQZOYQMW-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H27N7O/c1-33(2)27-30-16-22(19-8-4-3-5-9-19)25(32-27)20-10-7-13-34(17-20)26(35)24-12-6-11-23(31-24)21-14-28-18-29-15-21/h3-6,8-9,11-12,14-16,18,20H,7,10,13,17H2,1-2H3/t20-/m1/s1.
What are the key properties of [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone?
[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone has a molecular weight of 465.56 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone is sourced from PubChem (CID 124942858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).