4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine

C17H17ClN2 — CID 63355022

IUPAC4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine
SMILESClc1cc(C2CC2)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C17H17ClN2/c18-15-11-14(12-7-8-12)19-16(20-15)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2
InChIKeyYEPPCDMCPFZGQO-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.48
Rot. Bonds3

About 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine

4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine (PubChem CID 63355022) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine
PubChem CID63355022
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine
SMILESClc1cc(C2CC2)nc(C2(c3ccccc3)CCC2)n1
InChIInChI=1S/C17H17ClN2/c18-15-11-14(12-7-8-12)19-16(20-15)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2
InChIKeyYEPPCDMCPFZGQO-UHFFFAOYSA-N
XLogP4.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine (CID 63355022) is 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine is Clc1cc(C2CC2)nc(C2(c3ccccc3)CCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine?
The InChIKey is YEPPCDMCPFZGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-15-11-14(12-7-8-12)19-16(20-15)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine?
4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine has a molecular weight of 284.79 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine is sourced from PubChem (CID 63355022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).