4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C19H22N4O — CID 171914298

IUPAC4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)c1nc(NC2Cc3ccccc3C2)c2c(n1)C(=O)NCC2
InChIInChI=1S/C19H22N4O/c1-11(2)17-22-16-15(7-8-20-19(16)24)18(23-17)21-14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyGSAYROJEKPOZKW-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.47
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171914298) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171914298
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)c1nc(NC2Cc3ccccc3C2)c2c(n1)C(=O)NCC2
InChIInChI=1S/C19H22N4O/c1-11(2)17-22-16-15(7-8-20-19(16)24)18(23-17)21-14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyGSAYROJEKPOZKW-UHFFFAOYSA-N
XLogP2.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171914298) is 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CC(C)c1nc(NC2Cc3ccccc3C2)c2c(n1)C(=O)NCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is GSAYROJEKPOZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-11(2)17-22-16-15(7-8-20-19(16)24)18(23-17)21-14-9-12-5-3-4-6-13(12)10-14/h3-6,11,14H,7-10H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 322.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-ylamino)-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171914298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).