1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione

C10H11N3O2 — CID 609515

IUPAC1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H11N3O2/c1-6-4-5-7-8(11-6)9(14)13(3)10(15)12(7)2/h4-5H,1-3H3
InChIKeyLMOBTBKXWNTLAB-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.06
Rot. Bonds

About 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione

1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 609515) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID609515
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H11N3O2/c1-6-4-5-7-8(11-6)9(14)13(3)10(15)12(7)2/h4-5H,1-3H3
InChIKeyLMOBTBKXWNTLAB-UHFFFAOYSA-N
XLogP-0.06
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2499-96-9
CID 273240
3-Hydroxypyrido(3,2-d)pyrimidine-2,4(1H,3H)-dione
CID 303852
3-(4-methylbenzyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 20994638
Pyrido(3,2-d)pyrimidine-2,4-diol
CID 595909
1,3-Dimethylpyrido(3,2-d)pyrimidine-2,4(1H,3H)-dione
CID 605608
3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 11357628
3-(pyridin-2-ylmethyl)pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 33676844
Methyl (2,4-dioxo-1,4-dihydropyrido[3,2-d]pyrimidin-3(2H)-yl)acetate
CID 33676969
3-phenyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 12628639
3-n-BUTYL-PYRIDO[3,2-d]PYRIMIDINE-2,4(1H,3H)-DIONE
CID 14663383
3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 131133295
1-[3-(6-Methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one
CID 128893063

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione (CID 609515) is 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione is Cc1ccc2c(n1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is LMOBTBKXWNTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6-4-5-7-8(11-6)9(14)13(3)10(15)12(7)2/h4-5H,1-3H3.
What are the key properties of 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione?
1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethylpyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 609515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).