2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide

C9H10ClN3O2 — CID 130485725

IUPAC2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2COC2)nc(Cl)n1
InChIInChI=1S/C9H10ClN3O2/c1-5-2-7(13-9(10)11-5)8(14)12-6-3-15-4-6/h2,6H,3-4H2,1H3,(H,12,14)
InChIKeyHIOKISXQEKYSSQ-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.57
Rot. Bonds2

About 2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide

2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide (PubChem CID 130485725) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
PubChem CID130485725
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2COC2)nc(Cl)n1
InChIInChI=1S/C9H10ClN3O2/c1-5-2-7(13-9(10)11-5)8(14)12-6-3-15-4-6/h2,6H,3-4H2,1H3,(H,12,14)
InChIKeyHIOKISXQEKYSSQ-UHFFFAOYSA-N
XLogP0.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,6-dimethylpyrimidine-4-carboxamide
CID 88855458
N-(3-ethoxypropyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 71688584
N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71688607
N-(2-methoxyethyl)-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 71830615
N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945499
N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 95825823
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 50976603
2-(diethylamino)-N-(2-hydroxyethyl)-6-methylpyrimidine-4-carboxamide
CID 60182005
2-(dimethylamino)-6-methyl-N-(propan-2-yl)pyrimidine-4-carboxamide
CID 60182045
2,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 110849684
6-methyl-2-(methylamino)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 121537903
N-(1-methoxy-2-methylpropan-2-yl)-N,6-dimethyl-2-(methylamino)pyrimidine-4-carboxamide
CID 132301107

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide (CID 130485725) is 2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2COC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide?
The InChIKey is HIOKISXQEKYSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-5-2-7(13-9(10)11-5)8(14)12-6-3-15-4-6/h2,6H,3-4H2,1H3,(H,12,14).
What are the key properties of 2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide?
2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide has a molecular weight of 227.65 g/mol, XLogP of 0.57, 2 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-(oxetan-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 130485725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).