(2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone

C17H20N4O3 — CID 56739839

IUPAC(2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1ncc(C(=O)N2CCC(O)(CO)CC2)c(-c2ccccc2)n1
InChIInChI=1S/C17H20N4O3/c18-16-19-10-13(14(20-16)12-4-2-1-3-5-12)15(23)21-8-6-17(24,11-22)7-9-21/h1-5,10,22,24H,6-9,11H2,(H2,18,19,20)
InChIKeySQASRGCDALULNK-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.69
Rot. Bonds3

About (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone

(2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 56739839) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID56739839
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1ncc(C(=O)N2CCC(O)(CO)CC2)c(-c2ccccc2)n1
InChIInChI=1S/C17H20N4O3/c18-16-19-10-13(14(20-16)12-4-2-1-3-5-12)15(23)21-8-6-17(24,11-22)7-9-21/h1-5,10,22,24H,6-9,11H2,(H2,18,19,20)
InChIKeySQASRGCDALULNK-UHFFFAOYSA-N
XLogP0.69
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 72792627
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluoro-N-(3-hydroxypropyl)-N-methylbenzamide
CID 58072814
N,N-dimethyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470760
4-(2-Aminopyrimidin-4-yl)-2-piperidin-1-ylbenzamide
CID 49830836
N-allyl-2,4-diphenyl-5-pyrimidinecarboxamide
CID 3583594
2,4-diphenyl-N-propylpyrimidine-5-carboxamide
CID 3583595
4-Phenyl-2-(piperidin-1-yl)pyrimidine-5-carboxylic acid
CID 21712450
(4-Benzyl-4-hydroxypiperidin-1-yl)(2-(pyrimidin-4-yl)phenyl)methanone
CID 86680854
(4-Benzyl-4-hydroxypiperidin-1-yl)(2-(pyrimidin-4-yl)pyridin-3-yl)methanone
CID 86680859
1-Acetyl-4-[(2-amino-4-phenyl-5-pyrimidinyl)carbonyl]-1,4-diazepan-6-ol
CID 70744429
6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 117849629
N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-N-ethyl-2-phenylnicotinamide
CID 121427021

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone (CID 56739839) is (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone is Nc1ncc(C(=O)N2CCC(O)(CO)CC2)c(-c2ccccc2)n1.
What is the InChIKey of (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is SQASRGCDALULNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-16-19-10-13(14(20-16)12-4-2-1-3-5-12)15(23)21-8-6-17(24,11-22)7-9-21/h1-5,10,22,24H,6-9,11H2,(H2,18,19,20).
What are the key properties of (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone?
(2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenylpyrimidin-5-yl)-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56739839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).