7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C9H10N4O2 — CID 3040482

IUPAC7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(N)nc2n(C)c1=O
InChIInChI=1S/C9H10N4O2/c1-12-7-5(3-4-6(10)11-7)8(14)13(2)9(12)15/h3-4H,1-2H3,(H2,10,11)
InChIKeyZLPYOVJNMINBJN-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.79
Rot. Bonds

About 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 3040482) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID3040482
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(N)nc2n(C)c1=O
InChIInChI=1S/C9H10N4O2/c1-12-7-5(3-4-6(10)11-7)8(14)13(2)9(12)15/h3-4H,1-2H3,(H2,10,11)
InChIKeyZLPYOVJNMINBJN-UHFFFAOYSA-N
XLogP-0.79
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 14998470
2-Hydroxy nevirapine
CID 10850461
Dipyridodiazepinone deriv. 35
CID 463555
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
N-2-Pyridinyl-3-pyridinecarboxamide
CID 83187
2-(Piperazin-1-yl)pyridine-3-carboxamide
CID 16785637
1H-Pyrido[2,3-d]pyrimidine-2,4-dione
CID 270260
6-amino-1,3-dimethyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidine-2,4-dione
CID 8934584
3-[2-(dimethylamino)ethyl]-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one
CID 4324586
Tcmdc-123937
CID 317953
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688
2-Methylpyrido(2,3-d)pyrimidin-4(3H)-one
CID 135502605

Frequently Asked Questions

What is the IUPAC name of 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 3040482) is 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZLPYOVJNMINBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-12-7-5(3-4-6(10)11-7)8(14)13(2)9(12)15/h3-4H,1-2H3,(H2,10,11).
What are the key properties of 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 206.21 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3040482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).