7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C18H20N4O4S — CID 23476537

IUPAC7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1c(S(=O)(=O)c2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H20N4O4S/c1-10(2)12-13-16(21(3)18(24)22(4)17(13)23)20-15(19)14(12)27(25,26)11-8-6-5-7-9-11/h5-10H,1-4H3,(H2,19,20)
InChIKeyAWORMWBXONTTDC-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.17
Rot. Bonds3

About 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 23476537) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID23476537
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)c1c(S(=O)(=O)c2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H20N4O4S/c1-10(2)12-13-16(21(3)18(24)22(4)17(13)23)20-15(19)14(12)27(25,26)11-8-6-5-7-9-11/h5-10H,1-4H3,(H2,19,20)
InChIKeyAWORMWBXONTTDC-UHFFFAOYSA-N
XLogP1.17
TPSA117.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 23476537) is 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is CC(C)c1c(S(=O)(=O)c2ccccc2)c(N)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AWORMWBXONTTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-10(2)12-13-16(21(3)18(24)22(4)17(13)23)20-15(19)14(12)27(25,26)11-8-6-5-7-9-11/h5-10H,1-4H3,(H2,19,20).
What are the key properties of 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 388.45 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(benzenesulfonyl)-1,3-dimethyl-5-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 23476537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).