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

C14H15FN4 — CID 47390061

IUPAC4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCc3c(F)cccc32)nc(N)n1
InChIInChI=1S/C14H15FN4/c1-8-7-13(19-14(16)17-8)18-12-6-5-9-10(12)3-2-4-11(9)15/h2-4,7,12H,5-6H2,1H3,(H3,16,17,18,19)
InChIKeyIRQOXECHQFVPEJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.61
Rot. Bonds2

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

4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine (PubChem CID 47390061) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine
PubChem CID47390061
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CCc3c(F)cccc32)nc(N)n1
InChIInChI=1S/C14H15FN4/c1-8-7-13(19-14(16)17-8)18-12-6-5-9-10(12)3-2-4-11(9)15/h2-4,7,12H,5-6H2,1H3,(H3,16,17,18,19)
InChIKeyIRQOXECHQFVPEJ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine (CID 47390061) is 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NC2CCc3c(F)cccc32)nc(N)n1.
What is the InChIKey of 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is IRQOXECHQFVPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-8-7-13(19-14(16)17-8)18-12-6-5-9-10(12)3-2-4-11(9)15/h2-4,7,12H,5-6H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine?
4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 258.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 47390061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).