1,4,6-trimethyl-5-propylpyrimidin-2-imine

C10H17N3 — CID 171384506

IUPAC1,4,6-trimethyl-5-propylpyrimidin-2-imine
SMILES[H]/N=c1\nc(C)c(CCC)c(C)n1C
InChIInChI=1S/C10H17N3/c1-5-6-9-7(2)12-10(11)13(4)8(9)3/h11H,5-6H2,1-4H3/b11-10+
InChIKeyDTCATTNAWWPROE-ZHACJKMWSA-N
MW179.27 g/mol
LogP1.47
Rot. Bonds2

About 1,4,6-trimethyl-5-propylpyrimidin-2-imine

1,4,6-trimethyl-5-propylpyrimidin-2-imine (PubChem CID 171384506) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,4,6-trimethyl-5-propylpyrimidin-2-imine.

Molecular Properties

Compound Name1,4,6-trimethyl-5-propylpyrimidin-2-imine
PubChem CID171384506
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,4,6-trimethyl-5-propylpyrimidin-2-imine
SMILES[H]/N=c1\nc(C)c(CCC)c(C)n1C
InChIInChI=1S/C10H17N3/c1-5-6-9-7(2)12-10(11)13(4)8(9)3/h11H,5-6H2,1-4H3/b11-10+
InChIKeyDTCATTNAWWPROE-ZHACJKMWSA-N
XLogP1.47
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4,6-trimethyl-5-propylpyrimidin-2-imine 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 1,4,6-trimethyl-5-propylpyrimidin-2-imine?
The IUPAC name of 1,4,6-trimethyl-5-propylpyrimidin-2-imine (CID 171384506) is 1,4,6-trimethyl-5-propylpyrimidin-2-imine.
What is the SMILES notation for 1,4,6-trimethyl-5-propylpyrimidin-2-imine?
The canonical SMILES for 1,4,6-trimethyl-5-propylpyrimidin-2-imine is [H]/N=c1\nc(C)c(CCC)c(C)n1C.
What is the InChIKey of 1,4,6-trimethyl-5-propylpyrimidin-2-imine?
The InChIKey is DTCATTNAWWPROE-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-6-9-7(2)12-10(11)13(4)8(9)3/h11H,5-6H2,1-4H3/b11-10+.
What are the key properties of 1,4,6-trimethyl-5-propylpyrimidin-2-imine?
1,4,6-trimethyl-5-propylpyrimidin-2-imine has a molecular weight of 179.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-5-propylpyrimidin-2-imine is sourced from PubChem (CID 171384506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).