4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine

C13H13ClN4 — CID 66163099

IUPAC4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
SMILESClc1cc(C2CC2)nc(-c2cncn2C2CC2)n1
InChIInChI=1S/C13H13ClN4/c14-12-5-10(8-1-2-8)16-13(17-12)11-6-15-7-18(11)9-3-4-9/h5-9H,1-4H2
InChIKeyMXCKAJBWHQZRCX-UHFFFAOYSA-N
MW260.73 g/mol
LogP3.21
Rot. Bonds3

About 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine

4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine (PubChem CID 66163099) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
PubChem CID66163099
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
SMILESClc1cc(C2CC2)nc(-c2cncn2C2CC2)n1
InChIInChI=1S/C13H13ClN4/c14-12-5-10(8-1-2-8)16-13(17-12)11-6-15-7-18(11)9-3-4-9/h5-9H,1-4H2
InChIKeyMXCKAJBWHQZRCX-UHFFFAOYSA-N
XLogP3.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4,6-dichloro-2-(3-cyclopropylimidazol-4-yl)pyrimidine
CID 66312994
4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
CID 115926483
4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
CID 63355064
5-bromo-4-chloro-2-(3-cyclopropylimidazol-4-yl)-6-propan-2-ylpyrimidine
CID 66311681
2-(3-cyclopropylimidazol-4-yl)-6-ethylpyrimidin-4-amine
CID 66161729
5-chloro-1-cyclopropylimidazole
CID 169168171
4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
CID 63353337
4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670204
5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine
CID 66295944
2-bromo-4-chloro-6-cyclopropylpyrimidine
CID 130067681
2-(3-cyclopropylimidazol-4-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66163526
4-chloro-6-cyclopropyl-2-(3,4-difluorophenyl)pyrimidine
CID 55203209

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine (CID 66163099) is 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine is Clc1cc(C2CC2)nc(-c2cncn2C2CC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
The InChIKey is MXCKAJBWHQZRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c14-12-5-10(8-1-2-8)16-13(17-12)11-6-15-7-18(11)9-3-4-9/h5-9H,1-4H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine has a molecular weight of 260.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66163099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).