5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine

C11H20N2 — CID 169298204

IUPAC5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine
SMILESCC(C)C1=C(C(C)(C)C)CN=CN1
InChIInChI=1S/C11H20N2/c1-8(2)10-9(11(3,4)5)6-12-7-13-10/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyJACVJHIVQFEABU-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.57
Rot. Bonds1

About 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine

5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine (PubChem CID 169298204) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine
PubChem CID169298204
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine
SMILESCC(C)C1=C(C(C)(C)C)CN=CN1
InChIInChI=1S/C11H20N2/c1-8(2)10-9(11(3,4)5)6-12-7-13-10/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyJACVJHIVQFEABU-UHFFFAOYSA-N
XLogP2.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine 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 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine?
The IUPAC name of 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine (CID 169298204) is 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine?
The canonical SMILES for 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine is CC(C)C1=C(C(C)(C)C)CN=CN1.
What is the InChIKey of 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine?
The InChIKey is JACVJHIVQFEABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)10-9(11(3,4)5)6-12-7-13-10/h7-8H,6H2,1-5H3,(H,12,13).
What are the key properties of 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine?
5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine has a molecular weight of 180.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 169298204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).