2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine

C10H12N4S — CID 80850538

IUPAC2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccsc2)n1
InChIInChI=1S/C10H12N4S/c1-7-5-9(14-10(11-2)12-7)13-8-3-4-15-6-8/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyHAHXJLHEWOERRY-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.63
Rot. Bonds3

About 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine (PubChem CID 80850538) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
PubChem CID80850538
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccsc2)n1
InChIInChI=1S/C10H12N4S/c1-7-5-9(14-10(11-2)12-7)13-8-3-4-15-6-8/h3-6H,1-2H3,(H2,11,12,13,14)
InChIKeyHAHXJLHEWOERRY-UHFFFAOYSA-N
XLogP2.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80754824
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
4-N-(4-fluoro-3-methylphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80824530
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565395
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80762709
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772407
2-N,6-dimethyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-2,4-diamine
CID 80848684
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
2-N,6-dimethyl-4-N-(3-pyrazin-2-ylphenyl)pyrimidine-2,4-diamine
CID 171446026

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine (CID 80850538) is 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine is CNc1nc(C)cc(Nc2ccsc2)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The InChIKey is HAHXJLHEWOERRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-7-5-9(14-10(11-2)12-7)13-8-3-4-15-6-8/h3-6H,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine has a molecular weight of 220.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80850538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).