1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

C10H10N4O2 — CID 14110840

IUPAC1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)CC(C#N)=CN2
InChIInChI=1S/C10H10N4O2/c1-13-8-7(3-6(4-11)5-12-8)9(15)14(2)10(13)16/h5,12H,3H2,1-2H3
InChIKeyJYTCPPZCKDSNQV-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.54
Rot. Bonds

About 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 14110840) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID14110840
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)CC(C#N)=CN2
InChIInChI=1S/C10H10N4O2/c1-13-8-7(3-6(4-11)5-12-8)9(15)14(2)10(13)16/h5,12H,3H2,1-2H3
InChIKeyJYTCPPZCKDSNQV-UHFFFAOYSA-N
XLogP-0.54
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 14110840) is 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is Cn1c2c(c(=O)n(C)c1=O)CC(C#N)=CN2.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is JYTCPPZCKDSNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-13-8-7(3-6(4-11)5-12-8)9(15)14(2)10(13)16/h5,12H,3H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 218.22 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 14110840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).