2-butan-2-yl-4-chloro-6-methylpyrimidine

C9H13ClN2 — CID 62313063

IUPAC2-butan-2-yl-4-chloro-6-methylpyrimidine
SMILESCCC(C)c1nc(C)cc(Cl)n1
InChIInChI=1S/C9H13ClN2/c1-4-6(2)9-11-7(3)5-8(10)12-9/h5-6H,4H2,1-3H3
InChIKeyAHLDBLRZNGKNRD-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.95
Rot. Bonds2

About 2-butan-2-yl-4-chloro-6-methylpyrimidine

2-butan-2-yl-4-chloro-6-methylpyrimidine (PubChem CID 62313063) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-butan-2-yl-4-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name2-butan-2-yl-4-chloro-6-methylpyrimidine
PubChem CID62313063
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-butan-2-yl-4-chloro-6-methylpyrimidine
SMILESCCC(C)c1nc(C)cc(Cl)n1
InChIInChI=1S/C9H13ClN2/c1-4-6(2)9-11-7(3)5-8(10)12-9/h5-6H,4H2,1-3H3
InChIKeyAHLDBLRZNGKNRD-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-chloro-6-methylpyrimidine
CID 21810
2,4-Dichloro-6-methylpyrimidine
CID 79471
4-Chloro-6-methyl-2-(methylthio)pyrimidine
CID 241163
4-Chloro-2,6-dimethylpyrimidine
CID 3154199
4-Chloro-6-methyl-2-(propan-2-yl)pyrimidine
CID 3306907
4-chloro-N-ethyl-6-methylpyrimidin-2-amine
CID 53385563
4-Chloro-6-methylpyrimidine
CID 581796
4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidine
CID 19009749
4-Chloro-6-(1-methylethyl)-2-pyrimidinamine
CID 2773619
4-Chloro-6-(chloromethyl)-2-methylpyrimidine
CID 33781222
2,4-Dichloro-6-(propan-2-yl)pyrimidine
CID 246012
2,4-Di-tert-butyl-6-chloropyrimidine
CID 11368138

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-chloro-6-methylpyrimidine?
The IUPAC name of 2-butan-2-yl-4-chloro-6-methylpyrimidine (CID 62313063) is 2-butan-2-yl-4-chloro-6-methylpyrimidine.
What is the SMILES notation for 2-butan-2-yl-4-chloro-6-methylpyrimidine?
The canonical SMILES for 2-butan-2-yl-4-chloro-6-methylpyrimidine is CCC(C)c1nc(C)cc(Cl)n1.
What is the InChIKey of 2-butan-2-yl-4-chloro-6-methylpyrimidine?
The InChIKey is AHLDBLRZNGKNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-4-6(2)9-11-7(3)5-8(10)12-9/h5-6H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-chloro-6-methylpyrimidine?
2-butan-2-yl-4-chloro-6-methylpyrimidine has a molecular weight of 184.67 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-chloro-6-methylpyrimidine is sourced from PubChem (CID 62313063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).