1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione

C12H17N3O2 — CID 59903178

IUPAC1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(CC)c1=O)CC=C(C)N2
InChIInChI=1S/C12H17N3O2/c1-4-14-10-9(7-6-8(3)13-10)11(16)15(5-2)12(14)17/h6,13H,4-5,7H2,1-3H3
InChIKeyCWRRLGHMXSMRQC-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.92
Rot. Bonds2

About 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione

1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 59903178) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID59903178
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(CC)c1=O)CC=C(C)N2
InChIInChI=1S/C12H17N3O2/c1-4-14-10-9(7-6-8(3)13-10)11(16)15(5-2)12(14)17/h6,13H,4-5,7H2,1-3H3
InChIKeyCWRRLGHMXSMRQC-UHFFFAOYSA-N
XLogP0.92
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione (CID 59903178) is 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione is CCn1c2c(c(=O)n(CC)c1=O)CC=C(C)N2.
What is the InChIKey of 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CWRRLGHMXSMRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-4-14-10-9(7-6-8(3)13-10)11(16)15(5-2)12(14)17/h6,13H,4-5,7H2,1-3H3.
What are the key properties of 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 235.29 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 59903178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).