4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine

C16H19ClN2 — CID 80952817

IUPAC4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine
SMILESCC(C)c1ccc(-c2cc(Cl)nc(C(C)C)n2)cc1
InChIInChI=1S/C16H19ClN2/c1-10(2)12-5-7-13(8-6-12)14-9-15(17)19-16(18-14)11(3)4/h5-11H,1-4H3
InChIKeyPNUIWDIDPDSTQR-UHFFFAOYSA-N
MW274.79 g/mol
LogP5.04
Rot. Bonds3

About 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine

4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine (PubChem CID 80952817) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine
PubChem CID80952817
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine
SMILESCC(C)c1ccc(-c2cc(Cl)nc(C(C)C)n2)cc1
InChIInChI=1S/C16H19ClN2/c1-10(2)12-5-7-13(8-6-12)14-9-15(17)19-16(18-14)11(3)4/h5-11H,1-4H3
InChIKeyPNUIWDIDPDSTQR-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.79
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine (CID 80952817) is 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine is CC(C)c1ccc(-c2cc(Cl)nc(C(C)C)n2)cc1.
What is the InChIKey of 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine?
The InChIKey is PNUIWDIDPDSTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-10(2)12-5-7-13(8-6-12)14-9-15(17)19-16(18-14)11(3)4/h5-11H,1-4H3.
What are the key properties of 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine?
4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine has a molecular weight of 274.79 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-6-(4-propan-2-ylphenyl)pyrimidine is sourced from PubChem (CID 80952817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).