4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine

C12H17ClN2 — CID 176962447

IUPAC4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine
SMILESCc1nc(C)c(C2(C(C)C)CC2)c(Cl)n1
InChIInChI=1S/C12H17ClN2/c1-7(2)12(5-6-12)10-8(3)14-9(4)15-11(10)13/h7H,5-6H2,1-4H3
InChIKeyREPSDGUKQIDYKC-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.43
Rot. Bonds2

About 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine

4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine (PubChem CID 176962447) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine
PubChem CID176962447
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine
SMILESCc1nc(C)c(C2(C(C)C)CC2)c(Cl)n1
InChIInChI=1S/C12H17ClN2/c1-7(2)12(5-6-12)10-8(3)14-9(4)15-11(10)13/h7H,5-6H2,1-4H3
InChIKeyREPSDGUKQIDYKC-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Di-tert-butyl-6-chloropyrimidine
CID 11368138
4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 351135
4-Chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
4-Chloro-2-methyl-6-(propan-2-yl)pyrimidine
CID 25220467
4-Tert-butyl-6-chloro-2-(propan-2-yl)pyrimidine
CID 43557555
4-Chloro-2,6-bis(propan-2-yl)pyrimidine
CID 43557629
4-Chloro-6-cyclopropyl-2-methylpyrimidine
CID 45788112
4-Chloro-2,6-dicyclopropylpyrimidine
CID 45788167
2,4-dichloro-5H,6H,7H,8H,9H,10H-cycloocta(d)pyrimidine
CID 65712280
2-Chloro-4,6-dimethyl-5-(2-methylpropyl)pyrimidine
CID 73994643
2,4-dichloro-7,7-dimethyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 79863309
2,4-dichloro-6,6-dimethyl-5H,6H,7H-cyclopenta[d]pyrimidine
CID 84682407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine?
The IUPAC name of 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine (CID 176962447) is 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine.
What is the SMILES notation for 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine?
The canonical SMILES for 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine is Cc1nc(C)c(C2(C(C)C)CC2)c(Cl)n1.
What is the InChIKey of 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine?
The InChIKey is REPSDGUKQIDYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-7(2)12(5-6-12)10-8(3)14-9(4)15-11(10)13/h7H,5-6H2,1-4H3.
What are the key properties of 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine?
4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine has a molecular weight of 224.73 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine is sourced from PubChem (CID 176962447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).