2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide

C19H25N5O2 — CID 74249805

IUPAC2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NCCN2CCCCC2CO)c(-c2ccccc2)n1
InChIInChI=1S/C19H25N5O2/c20-19-22-12-16(17(23-19)14-6-2-1-3-7-14)18(26)21-9-11-24-10-5-4-8-15(24)13-25/h1-3,6-7,12,15,25H,4-5,8-11,13H2,(H,21,26)(H2,20,22,23)
InChIKeyIEMLRQIKJHPCKQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.30
Rot. Bonds6

About 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide

2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 74249805) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID74249805
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NCCN2CCCCC2CO)c(-c2ccccc2)n1
InChIInChI=1S/C19H25N5O2/c20-19-22-12-16(17(23-19)14-6-2-1-3-7-14)18(26)21-9-11-24-10-5-4-8-15(24)13-25/h1-3,6-7,12,15,25H,4-5,8-11,13H2,(H,21,26)(H2,20,22,23)
InChIKeyIEMLRQIKJHPCKQ-UHFFFAOYSA-N
XLogP1.30
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 46996640
N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxamide
CID 97132107
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 77084193
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125446361
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
8-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-2-carboxamide
CID 74250935
(2-amino-4-phenylpyrimidin-5-yl)-[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 95869933
3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126450240
N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 125157558

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide (CID 74249805) is 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide is Nc1ncc(C(=O)NCCN2CCCCC2CO)c(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is IEMLRQIKJHPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-19-22-12-16(17(23-19)14-6-2-1-3-7-14)18(26)21-9-11-24-10-5-4-8-15(24)13-25/h1-3,6-7,12,15,25H,4-5,8-11,13H2,(H,21,26)(H2,20,22,23).
What are the key properties of 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide?
2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 74249805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).