2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine

C10H12N4S — CID 80851513

IUPAC2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2ccsc2)n1
InChIInChI=1S/C10H12N4S/c1-6-9(11)12-7(2)13-10(6)14-8-3-4-15-5-8/h3-5H,1-2H3,(H3,11,12,13,14)
InChIKeySNMKBHRIFAJNDG-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.48
Rot. Bonds2

About 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine

2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine (PubChem CID 80851513) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
PubChem CID80851513
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2ccsc2)n1
InChIInChI=1S/C10H12N4S/c1-6-9(11)12-7(2)13-10(6)14-8-3-4-15-5-8/h3-5H,1-2H3,(H3,11,12,13,14)
InChIKeySNMKBHRIFAJNDG-UHFFFAOYSA-N
XLogP2.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761015
2,5-dimethyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 80759444
2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
CID 80825854
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326
6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine
CID 80978315
4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763496
5-bromo-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850623
2-N-thiophen-3-ylpyridine-2,3-diamine
CID 66349916
4-N-(2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80769228
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]benzonitrile
CID 80761209
3,5-dichloro-2-N-methyl-6-N-thiophen-3-ylpyridine-2,6-diamine
CID 102758886
4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 81271742

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine (CID 80851513) is 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(Nc2ccsc2)n1.
What is the InChIKey of 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine?
The InChIKey is SNMKBHRIFAJNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-6-9(11)12-7(2)13-10(6)14-8-3-4-15-5-8/h3-5H,1-2H3,(H3,11,12,13,14).
What are the key properties of 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine has a molecular weight of 220.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80851513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).