5-propan-2-yl-1,4,5,6-tetrahydropyrimidine

C7H14N2 — CID 58473779

IUPAC5-propan-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)C1CN=CNC1
InChIInChI=1S/C7H14N2/c1-6(2)7-3-8-5-9-4-7/h5-7H,3-4H2,1-2H3,(H,8,9)
InChIKeyZGIPBAPFWNBELS-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.89
Rot. Bonds1

About 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine

5-propan-2-yl-1,4,5,6-tetrahydropyrimidine (PubChem CID 58473779) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-1,4,5,6-tetrahydropyrimidine
PubChem CID58473779
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name5-propan-2-yl-1,4,5,6-tetrahydropyrimidine
SMILESCC(C)C1CN=CNC1
InChIInChI=1S/C7H14N2/c1-6(2)7-3-8-5-9-4-7/h5-7H,3-4H2,1-2H3,(H,8,9)
InChIKeyZGIPBAPFWNBELS-UHFFFAOYSA-N
XLogP0.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine 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-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine (CID 58473779) is 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine is CC(C)C1CN=CNC1.
What is the InChIKey of 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ZGIPBAPFWNBELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7-3-8-5-9-4-7/h5-7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine?
5-propan-2-yl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 126.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 58473779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).