2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione

C7H8N4O2 — CID 170508633

IUPAC2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione
SMILESNc1nc2c(c(=O)[nH]1)CCNC2=O
InChIInChI=1S/C7H8N4O2/c8-7-10-4-3(5(12)11-7)1-2-9-6(4)13/h1-2H2,(H,9,13)(H3,8,10,11,12)
InChIKeyDNJRKGBEKAFDMI-UHFFFAOYSA-N
MW180.17 g/mol
LogP-1.36
Rot. Bonds

About 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione

2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione (PubChem CID 170508633) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione.

Molecular Properties

Compound Name2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione
PubChem CID170508633
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione
SMILESNc1nc2c(c(=O)[nH]1)CCNC2=O
InChIInChI=1S/C7H8N4O2/c8-7-10-4-3(5(12)11-7)1-2-9-6(4)13/h1-2H2,(H,9,13)(H3,8,10,11,12)
InChIKeyDNJRKGBEKAFDMI-UHFFFAOYSA-N
XLogP-1.36
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbutyl)-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione
CID 171386557
2-(pyridin-3-ylmethyl)-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione
CID 171387757
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135452518
(6S)-2,6-diamino-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136690169
2-amino-4-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387553
4-[[(2S)-2-aminopropyl]amino]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387795
(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide
CID 136828485
3-amino-7,8,9,10-tetrahydro-2H-pyrimido[4,5-c][2,7]naphthyridin-1-one
CID 135818395
2,5,6,7-tetrahydrotriazolo[4,5-c]pyridin-4-one
CID 154051967
ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate
CID 135473622
2-ethyl-1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one
CID 139516327
2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
CID 137197405

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione?
The IUPAC name of 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione (CID 170508633) is 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione.
What is the SMILES notation for 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione?
The canonical SMILES for 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione is Nc1nc2c(c(=O)[nH]1)CCNC2=O.
What is the InChIKey of 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione?
The InChIKey is DNJRKGBEKAFDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c8-7-10-4-3(5(12)11-7)1-2-9-6(4)13/h1-2H2,(H,9,13)(H3,8,10,11,12).
What are the key properties of 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione?
2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione has a molecular weight of 180.17 g/mol, XLogP of -1.36, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione is sourced from PubChem (CID 170508633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).