4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C10H15FN4 — CID 80847388

IUPAC4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCCC2CC2)n1
InChIInChI=1S/C10H15FN4/c1-12-10-14-6-8(11)9(15-10)13-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyUECCZUHILAIPKM-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.87
Rot. Bonds5

About 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80847388) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80847388
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCCC2CC2)n1
InChIInChI=1S/C10H15FN4/c1-12-10-14-6-8(11)9(15-10)13-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyUECCZUHILAIPKM-UHFFFAOYSA-N
XLogP1.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80847388) is 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(NCCC2CC2)n1.
What is the InChIKey of 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is UECCZUHILAIPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c1-12-10-14-6-8(11)9(15-10)13-5-4-7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 210.26 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopropylethyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80847388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).