5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine

C9H9FN4S — CID 80850378

IUPAC5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2ccsc2)n1
InChIInChI=1S/C9H9FN4S/c1-11-9-12-4-7(10)8(14-9)13-6-2-3-15-5-6/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyWNWWNPXELKVWMF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.46
Rot. Bonds3

About 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine (PubChem CID 80850378) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
PubChem CID80850378
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC Name5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(Nc2ccsc2)n1
InChIInChI=1S/C9H9FN4S/c1-11-9-12-4-7(10)8(14-9)13-6-2-3-15-5-6/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyWNWWNPXELKVWMF-UHFFFAOYSA-N
XLogP2.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 162645318
(Thiophen-3-yl)aminopyrimidine
CID 67407208
1-[5-Fluoro-2-(3-methoxypropoxy)pyrimidin-4-yl]-3-thiophen-3-ylurea
CID 57819109
1-(2-But-2-ynoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea
CID 57819120
1-(5-Fluoro-2-hexoxypyrimidin-4-yl)-3-thiophen-3-ylurea
CID 57819221
1-(2-Ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea
CID 70928629
2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine
CID 145195233
5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine
CID 167026380
4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 46174461
2-chloro-5-fluoro-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 79075689
2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine
CID 79075912
4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80779345

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine (CID 80850378) is 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine is CNc1ncc(F)c(Nc2ccsc2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
The InChIKey is WNWWNPXELKVWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c1-11-9-12-4-7(10)8(14-9)13-6-2-3-15-5-6/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine has a molecular weight of 224.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80850378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).