4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

C14H15FN4 — CID 107855407

IUPAC4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C14H15FN4/c1-16-14-17-8-12(15)13(19-14)18-11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyTULFXXAVIJJBIY-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.24
Rot. Bonds3

About 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 107855407) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID107855407
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C14H15FN4/c1-16-14-17-8-12(15)13(19-14)18-11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyTULFXXAVIJJBIY-UHFFFAOYSA-N
XLogP2.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 107855407) is 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(F)c(NC2Cc3ccccc3C2)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is TULFXXAVIJJBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-16-14-17-8-12(15)13(19-14)18-11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 258.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 107855407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).