2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide

C12H16ClN3O2 — CID 114219697

IUPAC2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2(C)CCOC2C)nc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-7-6-9(15-11(13)14-7)10(17)16-12(3)4-5-18-8(12)2/h6,8H,4-5H2,1-3H3,(H,16,17)
InChIKeySOLYYZZGGQQVCN-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.74
Rot. Bonds2

About 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide

2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 114219697) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID114219697
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2(C)CCOC2C)nc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-7-6-9(15-11(13)14-7)10(17)16-12(3)4-5-18-8(12)2/h6,8H,4-5H2,1-3H3,(H,16,17)
InChIKeySOLYYZZGGQQVCN-UHFFFAOYSA-N
XLogP1.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide (CID 114219697) is 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2(C)CCOC2C)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is SOLYYZZGGQQVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-7-6-9(15-11(13)14-7)10(17)16-12(3)4-5-18-8(12)2/h6,8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide?
2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethyloxolan-3-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).