N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine

C17H16N4O — CID 44591866

IUPACN-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
InChIInChI=1S/C17H16N4O/c1-22-16-8-14-15(9-18-16)19-10-20-17(14)21-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,19,20,21)
InChIKeyLIFCGRIUBCJQDT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.61
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine

N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine (PubChem CID 44591866) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine
PubChem CID44591866
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
InChIInChI=1S/C17H16N4O/c1-22-16-8-14-15(9-18-16)19-10-20-17(14)21-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,19,20,21)
InChIKeyLIFCGRIUBCJQDT-UHFFFAOYSA-N
XLogP2.61
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine (CID 44591866) is N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine is COc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is LIFCGRIUBCJQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-16-8-14-15(9-18-16)19-10-20-17(14)21-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,19,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 292.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 44591866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).