6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione

C20H24N4O3 — CID 163362278

IUPAC6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCC(C)Nc1c(Cc2ccccc2)c(=O)n(C)c2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H24N4O3/c1-12(2)21-16-14(11-13-9-7-6-8-10-13)18(25)22(3)17-15(16)19(26)24(5)20(27)23(17)4/h6-10,12,21H,11H2,1-5H3
InChIKeyIJJILVPXKBWLBO-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.35
Rot. Bonds4

About 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione

6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 163362278) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID163362278
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCC(C)Nc1c(Cc2ccccc2)c(=O)n(C)c2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H24N4O3/c1-12(2)21-16-14(11-13-9-7-6-8-10-13)18(25)22(3)17-15(16)19(26)24(5)20(27)23(17)4/h6-10,12,21H,11H2,1-5H3
InChIKeyIJJILVPXKBWLBO-UHFFFAOYSA-N
XLogP1.35
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 163362278) is 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione is CC(C)Nc1c(Cc2ccccc2)c(=O)n(C)c2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is IJJILVPXKBWLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12(2)21-16-14(11-13-9-7-6-8-10-13)18(25)22(3)17-15(16)19(26)24(5)20(27)23(17)4/h6-10,12,21H,11H2,1-5H3.
What are the key properties of 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 368.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 163362278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).