[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone

C20H27N5O2 — CID 72895677

IUPAC[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1C[C@@H](CN(C)C)C[C@H](CO)C1
InChIInChI=1S/C20H27N5O2/c1-14-18(9-22-19(23-14)17-5-4-6-21-8-17)20(27)25-11-15(10-24(2)3)7-16(12-25)13-26/h4-6,8-9,15-16,26H,7,10-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyQZKVODNOLRWKGG-CVEARBPZSA-N
MW369.47 g/mol
LogP1.48
Rot. Bonds5

About [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone

[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone (PubChem CID 72895677) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
PubChem CID72895677
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1C[C@@H](CN(C)C)C[C@H](CO)C1
InChIInChI=1S/C20H27N5O2/c1-14-18(9-22-19(23-14)17-5-4-6-21-8-17)20(27)25-11-15(10-24(2)3)7-16(12-25)13-26/h4-6,8-9,15-16,26H,7,10-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyQZKVODNOLRWKGG-CVEARBPZSA-N
XLogP1.48
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-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

[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193736
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 91771542
[(3aR,5R,6R,7aS)-5-hydroxy-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 172664673
formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 171330305
(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 74237399
(3R,4S)-3-hydroxy-1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163306068
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 164694318
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97271958
9,9-dimethyl-3-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138387668
6-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 166623510
2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
CID 95889304

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone (CID 72895677) is [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone is Cc1nc(-c2cccnc2)ncc1C(=O)N1C[C@@H](CN(C)C)C[C@H](CO)C1.
What is the InChIKey of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone?
The InChIKey is QZKVODNOLRWKGG-CVEARBPZSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-18(9-22-19(23-14)17-5-4-6-21-8-17)20(27)25-11-15(10-24(2)3)7-16(12-25)13-26/h4-6,8-9,15-16,26H,7,10-13H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone?
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72895677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).