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

C19H16N4O2 — CID 16845519

IUPAC1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Nc3cccc4ccccc34)ccnc2n(C)c1=O
InChIInChI=1S/C19H16N4O2/c1-22-17-16(18(24)23(2)19(22)25)15(10-11-20-17)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,20,21)
InChIKeyOXELKVXOAUVKFU-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.53
Rot. Bonds2

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

1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845519) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845519
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(Nc3cccc4ccccc34)ccnc2n(C)c1=O
InChIInChI=1S/C19H16N4O2/c1-22-17-16(18(24)23(2)19(22)25)15(10-11-20-17)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,20,21)
InChIKeyOXELKVXOAUVKFU-UHFFFAOYSA-N
XLogP2.53
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 42475261
5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845574
1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845539
1,3-dimethyl-5-(1,2-oxazol-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845554
4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 42475324
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845547
1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845484
N-naphthalen-1-yl-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 18585279
1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2826307
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 16841429
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-methoxyphenyl)acetamide
CID 16841386

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16845519) is 1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(Nc3cccc4ccccc34)ccnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OXELKVXOAUVKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-22-17-16(18(24)23(2)19(22)25)15(10-11-20-17)21-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,20,21).
What are the key properties of 1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 332.36 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).