4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine

C13H14ClN3O — CID 114054131

IUPAC4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine
SMILESCOc1cccnc1-c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C13H14ClN3O/c1-8(2)13-16-9(7-11(14)17-13)12-10(18-3)5-4-6-15-12/h4-8H,1-3H3
InChIKeyARHSNARIWUVBFG-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.32
Rot. Bonds3

About 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine

4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine (PubChem CID 114054131) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine
PubChem CID114054131
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine
SMILESCOc1cccnc1-c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C13H14ClN3O/c1-8(2)13-16-9(7-11(14)17-13)12-10(18-3)5-4-6-15-12/h4-8H,1-3H3
InChIKeyARHSNARIWUVBFG-UHFFFAOYSA-N
XLogP3.32
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
CID 116811182
4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine
CID 80952660
4-chloro-6-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952524
3-methoxy-2-(4-propan-2-ylphenyl)pyridine
CID 135075051
4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80952817
2-(4-chlorophenyl)-3-methoxypyridine
CID 90122541
3,5-dichloro-6-(3-methoxy-2-pyridinyl)pyridin-2-amine
CID 114054154
7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952013
2-ethyl-4-(3-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136731230
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953300
4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine (CID 114054131) is 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine is COc1cccnc1-c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine?
The InChIKey is ARHSNARIWUVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8(2)13-16-9(7-11(14)17-13)12-10(18-3)5-4-6-15-12/h4-8H,1-3H3.
What are the key properties of 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine?
4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine has a molecular weight of 263.73 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 114054131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).