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

C16H17N3O — CID 136941472

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2Cc3ccccc3C2)nc2c1CCNC2
InChIInChI=1S/C16H17N3O/c20-16-13-5-6-17-9-14(13)18-15(19-16)12-7-10-3-1-2-4-11(10)8-12/h1-4,12,17H,5-9H2,(H,18,19,20)
InChIKeyPPFOCUGQTUCPMI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.30
Rot. Bonds1

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

2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136941472) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136941472
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2Cc3ccccc3C2)nc2c1CCNC2
InChIInChI=1S/C16H17N3O/c20-16-13-5-6-17-9-14(13)18-15(19-16)12-7-10-3-1-2-4-11(10)8-12/h1-4,12,17H,5-9H2,(H,18,19,20)
InChIKeyPPFOCUGQTUCPMI-UHFFFAOYSA-N
XLogP1.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941583
2-(2,3-dihydro-1-benzofuran-3-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941592
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136992302
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742288
2-(thiolan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941556
2-(1-phenylcyclopropyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941469
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595
2-(2-chloroanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965778
2-(1-benzofuran-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941659
2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 65408688
2-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941632
2-[(2-chlorophenyl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941477

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136941472) is 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(C2Cc3ccccc3C2)nc2c1CCNC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PPFOCUGQTUCPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16-13-5-6-17-9-14(13)18-15(19-16)12-7-10-3-1-2-4-11(10)8-12/h1-4,12,17H,5-9H2,(H,18,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 267.33 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).