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

C19H22N4O2 — CID 16845484

IUPAC1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(CCc1ccccc1)Nc1ccnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H22N4O2/c1-13(9-10-14-7-5-4-6-8-14)21-15-11-12-20-17-16(15)18(24)23(3)19(25)22(17)2/h4-8,11-13H,9-10H2,1-3H3,(H,20,21)
InChIKeyZXDQXHYGJITHCT-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.07
Rot. Bonds5

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

1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845484) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845484
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(CCc1ccccc1)Nc1ccnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H22N4O2/c1-13(9-10-14-7-5-4-6-8-14)21-15-11-12-20-17-16(15)18(24)23(3)19(25)22(17)2/h4-8,11-13H,9-10H2,1-3H3,(H,20,21)
InChIKeyZXDQXHYGJITHCT-UHFFFAOYSA-N
XLogP2.07
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845120
1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 19071382
1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845519
5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 42475261
1,3-dimethyl-7-(4-phenylbutan-2-yl)purine-2,6-dione
CID 60529422
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2826307
5-benzylsulfanyl-1,3-dimethyl-6-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 26844332
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
N-(4-phenylbutan-2-yl)quinolin-8-amine
CID 43098678
5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845489

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16845484) is 1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is CC(CCc1ccccc1)Nc1ccnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZXDQXHYGJITHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(9-10-14-7-5-4-6-8-14)21-15-11-12-20-17-16(15)18(24)23(3)19(25)22(17)2/h4-8,11-13H,9-10H2,1-3H3,(H,20,21).
What are the key properties of 1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 338.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).