4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine

C17H19ClN2 — CID 63079657

IUPAC4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C17H19ClN2/c1-16(2,3)13-11-14(18)20-15(19-13)17(9-10-17)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyUFOPGVCJRPKECM-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.51
Rot. Bonds2

About 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine

4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine (PubChem CID 63079657) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine
PubChem CID63079657
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C17H19ClN2/c1-16(2,3)13-11-14(18)20-15(19-13)17(9-10-17)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyUFOPGVCJRPKECM-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine (CID 63079657) is 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine is CC(C)(C)c1cc(Cl)nc(C2(c3ccccc3)CC2)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine?
The InChIKey is UFOPGVCJRPKECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-16(2,3)13-11-14(18)20-15(19-13)17(9-10-17)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine?
4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine has a molecular weight of 286.81 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine is sourced from PubChem (CID 63079657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).