4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine

C17H30N4 — CID 80787176

IUPAC4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CCC(C)C)C2CC2)c1CC
InChIInChI=1S/C17H30N4/c1-5-10-18-16-15(6-2)17(20-12-19-16)21(14-7-8-14)11-9-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyJZHUHFOETBNLGG-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.88
Rot. Bonds9

About 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine

4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80787176) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80787176
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CCC(C)C)C2CC2)c1CC
InChIInChI=1S/C17H30N4/c1-5-10-18-16-15(6-2)17(20-12-19-16)21(14-7-8-14)11-9-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,19,20)
InChIKeyJZHUHFOETBNLGG-UHFFFAOYSA-N
XLogP3.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811423
4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80854897
4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80775397
4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80774359
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535
4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80792671
5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine
CID 104533791
4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80940294
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 79033246
5-ethyl-4-N-(2-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80830097

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine (CID 80787176) is 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(CCC(C)C)C2CC2)c1CC.
What is the InChIKey of 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is JZHUHFOETBNLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-10-18-16-15(6-2)17(20-12-19-16)21(14-7-8-14)11-9-13(3)4/h12-14H,5-11H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80787176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).