2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide

C12H16ClN3O2 — CID 114219715

IUPAC2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2CCOC2)nc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-8-6-10(16-12(13)15-8)11(17)14-4-2-9-3-5-18-7-9/h6,9H,2-5,7H2,1H3,(H,14,17)
InChIKeyZCLZQVGJWKQJAB-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.59
Rot. Bonds4

About 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide

2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 114219715) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID114219715
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC2CCOC2)nc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-8-6-10(16-12(13)15-8)11(17)14-4-2-9-3-5-18-7-9/h6,9H,2-5,7H2,1H3,(H,14,17)
InChIKeyZCLZQVGJWKQJAB-UHFFFAOYSA-N
XLogP1.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114220716
5,7-dimethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124750862
2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
CID 130485725
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
CID 114130503
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121497411
oxan-4-ylmethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 114221381
4-methoxy-N-[2-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 122570420
5-(difluoromethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 121495779
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide
CID 114219515
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide (CID 114219715) is 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC2CCOC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is ZCLZQVGJWKQJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-8-6-10(16-12(13)15-8)11(17)14-4-2-9-3-5-18-7-9/h6,9H,2-5,7H2,1H3,(H,14,17).
What are the key properties of 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide?
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 114219715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).