4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine

C12H19ClN2O — CID 116502346

IUPAC4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
SMILESCOCC(C)c1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C12H19ClN2O/c1-8(7-16-5)11-14-9(12(2,3)4)6-10(13)15-11/h6,8H,7H2,1-5H3
InChIKeyVRCYAOLWFJCMFU-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.18
Rot. Bonds3

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

4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine (PubChem CID 116502346) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
PubChem CID116502346
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine
SMILESCOCC(C)c1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C12H19ClN2O/c1-8(7-16-5)11-14-9(12(2,3)4)6-10(13)15-11/h6,8H,7H2,1-5H3
InChIKeyVRCYAOLWFJCMFU-UHFFFAOYSA-N
XLogP3.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine (CID 116502346) is 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine is COCC(C)c1nc(Cl)cc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine?
The InChIKey is VRCYAOLWFJCMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8(7-16-5)11-14-9(12(2,3)4)6-10(13)15-11/h6,8H,7H2,1-5H3.
What are the key properties of 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine?
4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine has a molecular weight of 242.75 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-(1-methoxypropan-2-yl)pyrimidine is sourced from PubChem (CID 116502346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).