5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine

C12H15FN4S — CID 80828035

IUPAC5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccsc2)n1
InChIInChI=1S/C12H15FN4S/c1-2-4-14-12-16-7-10(13)11(17-12)15-6-9-3-5-18-8-9/h3,5,7-8H,2,4,6H2,1H3,(H2,14,15,16,17)
InChIKeyICCMJASLTQPKQP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.11
Rot. Bonds6

About 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine

5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80828035) has the molecular formula C12H15FN4S and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80828035
Molecular FormulaC12H15FN4S
Molecular Weight266.34 g/mol
Exact Mass266.10
IUPAC Name5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccsc2)n1
InChIInChI=1S/C12H15FN4S/c1-2-4-14-12-16-7-10(13)11(17-12)15-6-9-3-5-18-8-9/h3,5,7-8H,2,4,6H2,1H3,(H2,14,15,16,17)
InChIKeyICCMJASLTQPKQP-UHFFFAOYSA-N
XLogP3.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-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

5-fluoro-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80778083
5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 114187078
2-N-propyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80813725
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80771057
4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80794797
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771875
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 106378528
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
4-N-[2-(dimethylamino)propyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80819161
5-methyl-6-N,2-dipropyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984277
5-fluoro-4-N-[2-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80774383
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (CID 80828035) is 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCc2ccsc2)n1.
What is the InChIKey of 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ICCMJASLTQPKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-2-4-14-12-16-7-10(13)11(17-12)15-6-9-3-5-18-8-9/h3,5,7-8H,2,4,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 266.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80828035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).