1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C14H17N5O2 — CID 942002

IUPAC1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1cccnc1N1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H17N5O2/c1-9-5-4-6-15-11(9)19-7-10-12(16-8-19)17(2)14(21)18(3)13(10)20/h4-6,16H,7-8H2,1-3H3
InChIKeyLYRHSPPYHNCBSQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.18
Rot. Bonds1

About 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 942002) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID942002
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1cccnc1N1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H17N5O2/c1-9-5-4-6-15-11(9)19-7-10-12(16-8-19)17(2)14(21)18(3)13(10)20/h4-6,16H,7-8H2,1-3H3
InChIKeyLYRHSPPYHNCBSQ-UHFFFAOYSA-N
XLogP0.18
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 2738035
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1,3-dimethyl-6-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 20866981
ethane;4-(3-methyl-2-pyridinyl)morpholine
CID 143966357
1-(3-methyl-2-pyridinyl)piperazin-2-one
CID 50987689
3-[1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184009
3,4-dimethyl-1-(3-methyl-2-pyridinyl)pyrrole-2,5-dione
CID 45093444
2-(3-methyl-2-pyridinyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2875690
1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663790
2-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
CID 175648463
6-(3-ethoxypropyl)-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 20866984

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 942002) is 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cc1cccnc1N1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is LYRHSPPYHNCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-5-4-6-15-11(9)19-7-10-12(16-8-19)17(2)14(21)18(3)13(10)20/h4-6,16H,7-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 287.32 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(3-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 942002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).