N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C11H15N3O3 — CID 166274757

IUPACN-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCC[C@@H]1O)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c15-9-3-1-2-7(9)5-12-11(17)8-4-10(16)14-6-13-8/h4,6-7,9,15H,1-3,5H2,(H,12,17)(H,13,14,16)/t7-,9-/m0/s1
InChIKeyCXYVFGFJWVICSB-CBAPKCEASA-N
MW237.26 g/mol
LogP-0.34
Rot. Bonds3

About N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 166274757) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID166274757
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NC[C@@H]1CCC[C@@H]1O)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c15-9-3-1-2-7(9)5-12-11(17)8-4-10(16)14-6-13-8/h4,6-7,9,15H,1-3,5H2,(H,12,17)(H,13,14,16)/t7-,9-/m0/s1
InChIKeyCXYVFGFJWVICSB-CBAPKCEASA-N
XLogP-0.34
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272
4-bromo-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64913420
N-[(2-hydroxycyclohexyl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 64912798
4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64927605
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide
CID 137193705
2-(2-aminoethyl)-N-[(2-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389969
4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64928677
cyclopropane;6-oxo-1H-pyrimidine-4-carboxylic acid
CID 175268591
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193700
N-[(2-hydroxycyclohexyl)methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 64929275

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 166274757) is N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NC[C@@H]1CCC[C@@H]1O)c1cc(=O)[nH]cn1.
What is the InChIKey of N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is CXYVFGFJWVICSB-CBAPKCEASA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9-3-1-2-7(9)5-12-11(17)8-4-10(16)14-6-13-8/h4,6-7,9,15H,1-3,5H2,(H,12,17)(H,13,14,16)/t7-,9-/m0/s1.
What are the key properties of N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 166274757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).