4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine

C14H15FN4 — CID 123592027

IUPAC4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2Cc3ccc(F)cc3C2)nc(N)n1
InChIInChI=1S/C14H15FN4/c1-8-4-13(19-14(16)17-8)18-12-6-9-2-3-11(15)5-10(9)7-12/h2-5,12H,6-7H2,1H3,(H3,16,17,18,19)
InChIKeyGRNOPXVCDCXFRX-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.09
Rot. Bonds2

About 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine

4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine (PubChem CID 123592027) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine
PubChem CID123592027
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2Cc3ccc(F)cc3C2)nc(N)n1
InChIInChI=1S/C14H15FN4/c1-8-4-13(19-14(16)17-8)18-12-6-9-2-3-11(15)5-10(9)7-12/h2-5,12H,6-7H2,1H3,(H3,16,17,18,19)
InChIKeyGRNOPXVCDCXFRX-UHFFFAOYSA-N
XLogP2.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine (CID 123592027) is 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2Cc3ccc(F)cc3C2)nc(N)n1.
What is the InChIKey of 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is GRNOPXVCDCXFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-8-4-13(19-14(16)17-8)18-12-6-9-2-3-11(15)5-10(9)7-12/h2-5,12H,6-7H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine?
4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 258.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 123592027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).