4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine

C12H11ClN4O — CID 102949860

IUPAC4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine
SMILESCOc1cc(-c2nc(Cl)cc(C3CC3)n2)ncn1
InChIInChI=1S/C12H11ClN4O/c1-18-11-5-9(14-6-15-11)12-16-8(7-2-3-7)4-10(13)17-12/h4-7H,2-3H2,1H3
InChIKeyKAHUTMFBSITEEX-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.47
Rot. Bonds3

About 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine

4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine (PubChem CID 102949860) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine
PubChem CID102949860
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine
SMILESCOc1cc(-c2nc(Cl)cc(C3CC3)n2)ncn1
InChIInChI=1S/C12H11ClN4O/c1-18-11-5-9(14-6-15-11)12-16-8(7-2-3-7)4-10(13)17-12/h4-7H,2-3H2,1H3
InChIKeyKAHUTMFBSITEEX-UHFFFAOYSA-N
XLogP2.47
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine (CID 102949860) is 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine is COc1cc(-c2nc(Cl)cc(C3CC3)n2)ncn1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine?
The InChIKey is KAHUTMFBSITEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-18-11-5-9(14-6-15-11)12-16-8(7-2-3-7)4-10(13)17-12/h4-7H,2-3H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine?
4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine has a molecular weight of 262.70 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine is sourced from PubChem (CID 102949860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).