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

C15H19FN4S — CID 80779345

IUPAC4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H19FN4S/c1-2-6-17-15-18-8-13(16)14(19-15)20(12-3-4-12)9-11-5-7-21-10-11/h5,7-8,10,12H,2-4,6,9H2,1H3,(H,17,18,19)
InChIKeyFBNUZPIUCLMSFU-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.67
Rot. Bonds7

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

4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80779345) has the molecular formula C15H19FN4S and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80779345
Molecular FormulaC15H19FN4S
Molecular Weight306.41 g/mol
Exact Mass306.13
IUPAC Name4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H19FN4S/c1-2-6-17-15-18-8-13(16)14(19-15)20(12-3-4-12)9-11-5-7-21-10-11/h5,7-8,10,12H,2-4,6,9H2,1H3,(H,17,18,19)
InChIKeyFBNUZPIUCLMSFU-UHFFFAOYSA-N
XLogP3.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine (CID 80779345) is 4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is FBNUZPIUCLMSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4S/c1-2-6-17-15-18-8-13(16)14(19-15)20(12-3-4-12)9-11-5-7-21-10-11/h5,7-8,10,12H,2-4,6,9H2,1H3,(H,17,18,19).
What are the key properties of 4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 306.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80779345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).