2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C8H10N4O — CID 83679490

IUPAC2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)NCC2
InChIInChI=1S/C8H10N4O/c1-4-6-5(12-8(9)11-4)2-3-10-7(6)13/h2-3H2,1H3,(H,10,13)(H2,9,11,12)
InChIKeyBVTKUIPXPHBCHI-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.35
Rot. Bonds

About 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 83679490) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID83679490
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1nc(N)nc2c1C(=O)NCC2
InChIInChI=1S/C8H10N4O/c1-4-6-5(12-8(9)11-4)2-3-10-7(6)13/h2-3H2,1H3,(H,10,13)(H2,9,11,12)
InChIKeyBVTKUIPXPHBCHI-UHFFFAOYSA-N
XLogP-0.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 71696040
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclobutylmethanone
CID 89752448
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 89752453
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
2-amino-5H,6H,7H,8H-pyrido(4,3-d)pyrimidin-5-one
CID 57424752
6-{[ethyl(methyl)amino]acetyl}-N-methyl-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 70761821
2-(4-Methyl-5,6,7,8-tetrahydro-2-quinazolinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72855520
4,8-Dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 73439379
4-propan-2-yl-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137146081
2-Amino-4-methyl-5,8-dihydropyrido(2,3-d)pyrimidin-7(6H)-one
CID 293299
2-Amino-N-(2-(((2-amino-6-ethyl-5-methyl-4-pyrimidinyl)carbonyl)amino)ethyl)-6-ethyl-5-methyl-4-pyrimidinecarboxamide
CID 364948
N-[(1S,6S)-6-carbamoylcyclohex-3-en-1-yl]-4,6-dimethylpyrimidine-5-carboxamide
CID 164635520

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 83679490) is 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1nc(N)nc2c1C(=O)NCC2.
What is the InChIKey of 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is BVTKUIPXPHBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-4-6-5(12-8(9)11-4)2-3-10-7(6)13/h2-3H2,1H3,(H,10,13)(H2,9,11,12).
What are the key properties of 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 178.19 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 83679490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).