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

C10H11FN4S — CID 80781143

IUPAC5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1ccsc1)c1nc(N)ncc1F
InChIInChI=1S/C10H11FN4S/c1-15(5-7-2-3-16-6-7)9-8(11)4-13-10(12)14-9/h2-4,6H,5H2,1H3,(H2,12,13,14)
InChIKeyJQDYJGJGOIZVHR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.90
Rot. Bonds3

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

5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80781143) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80781143
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1ccsc1)c1nc(N)ncc1F
InChIInChI=1S/C10H11FN4S/c1-15(5-7-2-3-16-6-7)9-8(11)4-13-10(12)14-9/h2-4,6H,5H2,1H3,(H2,12,13,14)
InChIKeyJQDYJGJGOIZVHR-UHFFFAOYSA-N
XLogP1.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (CID 80781143) is 5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is CN(Cc1ccsc1)c1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is JQDYJGJGOIZVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-15(5-7-2-3-16-6-7)9-8(11)4-13-10(12)14-9/h2-4,6H,5H2,1H3,(H2,12,13,14).
What are the key properties of 5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 238.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80781143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).