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

C18H24N6OS — CID 171386082

IUPAC2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)Cc1nc2c(c(N3CCN(c4nccs4)CC3)n1)CCNC2=O
InChIInChI=1S/C18H24N6OS/c1-12(2)11-14-21-15-13(3-4-19-17(15)25)16(22-14)23-6-8-24(9-7-23)18-20-5-10-26-18/h5,10,12H,3-4,6-9,11H2,1-2H3,(H,19,25)
InChIKeyRGAHVYKQCFMLNT-UHFFFAOYSA-N
MW372.50 g/mol
LogP1.74
Rot. Bonds4

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

2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 171386082) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171386082
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)Cc1nc2c(c(N3CCN(c4nccs4)CC3)n1)CCNC2=O
InChIInChI=1S/C18H24N6OS/c1-12(2)11-14-21-15-13(3-4-19-17(15)25)16(22-14)23-6-8-24(9-7-23)18-20-5-10-26-18/h5,10,12H,3-4,6-9,11H2,1-2H3,(H,19,25)
InChIKeyRGAHVYKQCFMLNT-UHFFFAOYSA-N
XLogP1.74
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386787
4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(2-methylpropyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389436
4-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-2-(2-methylpropyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389614
4-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-2-(2-methylpropyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386862
2-(2-methylpropyl)-4-[2-(3-methylpyrazol-1-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389034
2-(2-methylpropyl)-4-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387055
5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80757343
2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171906541
2-(2-methylpropyl)-4-[(3-methyl-4-pyridinyl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388463
methyl 4-(8-oxo-2-propan-2-yl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 171389395
2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80976129
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 171386082) is 2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CC(C)Cc1nc2c(c(N3CCN(c4nccs4)CC3)n1)CCNC2=O.
What is the InChIKey of 2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is RGAHVYKQCFMLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-12(2)11-14-21-15-13(3-4-19-17(15)25)16(22-14)23-6-8-24(9-7-23)18-20-5-10-26-18/h5,10,12H,3-4,6-9,11H2,1-2H3,(H,19,25).
What are the key properties of 2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 372.50 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 171386082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).