4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C15H20N4S — CID 80808585

IUPAC4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(N(Cc2cccs2)C2CC2)ncn1
InChIInChI=1S/C15H20N4S/c1-2-7-16-14-9-15(18-11-17-14)19(12-5-6-12)10-13-4-3-8-20-13/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,16,17,18)
InChIKeyMKBGYDIOVFLOBF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.53
Rot. Bonds7

About 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80808585) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80808585
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(N(Cc2cccs2)C2CC2)ncn1
InChIInChI=1S/C15H20N4S/c1-2-7-16-14-9-15(18-11-17-14)19(12-5-6-12)10-13-4-3-8-20-13/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,16,17,18)
InChIKeyMKBGYDIOVFLOBF-UHFFFAOYSA-N
XLogP3.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-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

6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80778240
4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778927
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62752585
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805676
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79245841
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80808585) is 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CCCNc1cc(N(Cc2cccs2)C2CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is MKBGYDIOVFLOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-7-16-14-9-15(18-11-17-14)19(12-5-6-12)10-13-4-3-8-20-13/h3-4,8-9,11-12H,2,5-7,10H2,1H3,(H,16,17,18).
What are the key properties of 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80808585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).