N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine

C7H13N3 — CID 90452814

IUPACN-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine
SMILESCCNC1N=CNC=C1C
InChIInChI=1S/C7H13N3/c1-3-9-7-6(2)4-8-5-10-7/h4-5,7,9H,3H2,1-2H3,(H,8,10)
InChIKeyCWMCVSUPEGTXNG-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.46
Rot. Bonds2

About N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine

N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine (PubChem CID 90452814) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine
PubChem CID90452814
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine
SMILESCCNC1N=CNC=C1C
InChIInChI=1S/C7H13N3/c1-3-9-7-6(2)4-8-5-10-7/h4-5,7,9H,3H2,1-2H3,(H,8,10)
InChIKeyCWMCVSUPEGTXNG-UHFFFAOYSA-N
XLogP0.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine 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 N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine (CID 90452814) is N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine is CCNC1N=CNC=C1C.
What is the InChIKey of N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine?
The InChIKey is CWMCVSUPEGTXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-9-7-6(2)4-8-5-10-7/h4-5,7,9H,3H2,1-2H3,(H,8,10).
What are the key properties of N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine?
N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine has a molecular weight of 139.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 90452814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).