1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione

C20H24N4O2 — CID 16845120

IUPAC1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cnc2c(c1NC(C)CCc1ccccc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H24N4O2/c1-13-12-21-18-16(19(25)24(4)20(26)23(18)3)17(13)22-14(2)10-11-15-8-6-5-7-9-15/h5-9,12,14H,10-11H2,1-4H3,(H,21,22)
InChIKeyLGRRQWNXXXSCFT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.37
Rot. Bonds5

About 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione

1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845120) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845120
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cnc2c(c1NC(C)CCc1ccccc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H24N4O2/c1-13-12-21-18-16(19(25)24(4)20(26)23(18)3)17(13)22-14(2)10-11-15-8-6-5-7-9-15/h5-9,12,14H,10-11H2,1-4H3,(H,21,22)
InChIKeyLGRRQWNXXXSCFT-UHFFFAOYSA-N
XLogP2.37
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845484
3-phenyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840800
1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845153
5-benzylsulfanyl-1,3-dimethyl-6-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 26844332
2-ethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)butanamide
CID 16840693
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-3-phenylpropanamide
CID 16841104
1,3-dimethyl-7-(4-phenylbutan-2-yl)purine-2,6-dione
CID 60529422
1,3,6-trimethyl-5-(3-propan-2-yloxypropylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845089
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802512
5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845183
N-(1,3-dimethyl-2,4-dioxo-6-propan-2-ylpyrido[2,3-d]pyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 16841250
1,3,6-trimethyl-5-(1,2-oxazol-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845208

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16845120) is 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cnc2c(c1NC(C)CCc1ccccc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LGRRQWNXXXSCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-12-21-18-16(19(25)24(4)20(26)23(18)3)17(13)22-14(2)10-11-15-8-6-5-7-9-15/h5-9,12,14H,10-11H2,1-4H3,(H,21,22).
What are the key properties of 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 352.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).