1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione

C18H20N4O2 — CID 19071382

IUPAC1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Nc1ccnc2c1c(=O)n(C)c(=O)n2Cc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-12(2)20-14-9-10-19-16-15(14)17(23)21(3)18(24)22(16)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyYOQIXSSKCYEPPP-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.96
Rot. Bonds4

About 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione

1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 19071382) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID19071382
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Nc1ccnc2c1c(=O)n(C)c(=O)n2Cc1ccccc1
InChIInChI=1S/C18H20N4O2/c1-12(2)20-14-9-10-19-16-15(14)17(23)21(3)18(24)22(16)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKeyYOQIXSSKCYEPPP-UHFFFAOYSA-N
XLogP1.96
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 19071382) is 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Nc1ccnc2c1c(=O)n(C)c(=O)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YOQIXSSKCYEPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(2)20-14-9-10-19-16-15(14)17(23)21(3)18(24)22(16)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,19,20).
What are the key properties of 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 324.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 19071382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).