1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione

C12H14N4O2 — CID 3086958

IUPAC1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESC=CCNc1ccnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C12H14N4O2/c1-4-6-13-8-5-7-14-10-9(8)11(17)16(3)12(18)15(10)2/h4-5,7H,1,6H2,2-3H3,(H,13,14)
InChIKeySQQVHOKQCFLLCG-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.23
Rot. Bonds3

About 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 3086958) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID3086958
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESC=CCNc1ccnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C12H14N4O2/c1-4-6-13-8-5-7-14-10-9(8)11(17)16(3)12(18)15(10)2/h4-5,7H,1,6H2,2-3H3,(H,13,14)
InChIKeySQQVHOKQCFLLCG-UHFFFAOYSA-N
XLogP0.23
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 3086958) is 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione is C=CCNc1ccnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SQQVHOKQCFLLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-4-6-13-8-5-7-14-10-9(8)11(17)16(3)12(18)15(10)2/h4-5,7H,1,6H2,2-3H3,(H,13,14).
What are the key properties of 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(prop-2-enylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3086958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).