2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide

C8H10ClN3O2 — CID 130550792

IUPAC2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H10ClN3O2/c1-5(4-13)12-7(14)6-2-10-8(9)11-3-6/h2-3,5,13H,4H2,1H3,(H,12,14)/t5-/m1/s1
InChIKeyLJROTPQJIYNFFF-RXMQYKEDSA-N
MW215.64 g/mol
LogP0.24
Rot. Bonds3

About 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide

2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide (PubChem CID 130550792) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide
PubChem CID130550792
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H10ClN3O2/c1-5(4-13)12-7(14)6-2-10-8(9)11-3-6/h2-3,5,13H,4H2,1H3,(H,12,14)/t5-/m1/s1
InChIKeyLJROTPQJIYNFFF-RXMQYKEDSA-N
XLogP0.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
2-[(2-chloropyrimidine-5-carbonyl)amino]propanoic acid
CID 127019223
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276
3-chloro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxybenzamide
CID 43419055
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
N-(1-chloropropan-2-yl)pyrimidine-5-carboxamide
CID 102922755
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide (CID 130550792) is 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide is C[C@H](CO)NC(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is LJROTPQJIYNFFF-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5(4-13)12-7(14)6-2-10-8(9)11-3-6/h2-3,5,13H,4H2,1H3,(H,12,14)/t5-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide?
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 215.64 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 130550792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).