N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine

C14H14FN3O — CID 135097043

IUPACN-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NC2Cc3ccccc3C2)ncc1F
InChIInChI=1S/C14H14FN3O/c1-19-13-12(15)8-16-14(18-13)17-11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H,16,17,18)
InChIKeyKPGHWIOFLAMVQB-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.20
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine (PubChem CID 135097043) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine
PubChem CID135097043
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NC2Cc3ccccc3C2)ncc1F
InChIInChI=1S/C14H14FN3O/c1-19-13-12(15)8-16-14(18-13)17-11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H,16,17,18)
InChIKeyKPGHWIOFLAMVQB-UHFFFAOYSA-N
XLogP2.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine (CID 135097043) is N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine is COc1nc(NC2Cc3ccccc3C2)ncc1F.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine?
The InChIKey is KPGHWIOFLAMVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-19-13-12(15)8-16-14(18-13)17-11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11H,6-7H2,1H3,(H,16,17,18).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine?
N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine has a molecular weight of 259.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-5-fluoro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 135097043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).