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

C16H23N7O — CID 171387055

IUPAC2-(2-methylpropyl)-4-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)Cc1nc(NC(C)c2ncnn2C)c2c(n1)C(=O)NCC2
InChIInChI=1S/C16H23N7O/c1-9(2)7-12-21-13-11(5-6-17-16(13)24)14(22-12)20-10(3)15-18-8-19-23(15)4/h8-10H,5-7H2,1-4H3,(H,17,24)(H,20,21,22)
InChIKeyVMEIBUMVESVOLZ-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.26
Rot. Bonds5

About 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

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 (PubChem CID 171387055) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID171387055
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2-(2-methylpropyl)-4-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC(C)Cc1nc(NC(C)c2ncnn2C)c2c(n1)C(=O)NCC2
InChIInChI=1S/C16H23N7O/c1-9(2)7-12-21-13-11(5-6-17-16(13)24)14(22-12)20-10(3)15-18-8-19-23(15)4/h8-10H,5-7H2,1-4H3,(H,17,24)(H,20,21,22)
InChIKeyVMEIBUMVESVOLZ-UHFFFAOYSA-N
XLogP1.26
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylpropyl)-4-[2-(3-methylpyrazol-1-yl)ethylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171389034
4-[[[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]methyl]benzonitrile
CID 171909532
2-(2-methylpropyl)-4-[(3-methyl-4-pyridinyl)methylamino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388463
2-(2-methylpropyl)-4-(4-pyrazin-2-ylpiperazin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171913346
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
4-(2-methylazetidin-1-yl)-2-(2-methylpropyl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385818
2-(ethoxymethyl)-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 95896557
N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide
CID 171388762
3-[2-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285088
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
2-(2-methylpropyl)-4-(2-pyridin-2-ylmorpholin-4-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386940
N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95210945

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Cc1nc(NC(C)c2ncnn2C)c2c(n1)C(=O)NCC2.
What is the InChIKey of 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?
The InChIKey is VMEIBUMVESVOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-9(2)7-12-21-13-11(5-6-17-16(13)24)14(22-12)20-10(3)15-18-8-19-23(15)4/h8-10H,5-7H2,1-4H3,(H,17,24)(H,20,21,22).
What are the key properties of 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?
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 has a molecular weight of 329.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171387055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).