2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C27H29N11O4S — CID 158398309

IUPAC2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cnc[nH]2)cc2c(C)nc(N)nc21.CCn1c(=O)c(-c2cnc[nH]2)cc2c(C)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C14H15N5O3S.C13H14N6O/c1-4-19-12-9(8(2)17-14(18-12)23(3,21)22)5-10(13(19)20)11-6-15-7-16-11;1-3-19-11-8(7(2)17-13(14)18-11)4-9(12(19)20)10-5-15-6-16-10/h5-7H,4H2,1-3H3,(H,15,16);4-6H,3H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyGXUFWOWFRXTADR-UHFFFAOYSA-N
MW603.67 g/mol
LogP2.01
Rot. Bonds5

About 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 158398309) has the molecular formula C27H29N11O4S and a molecular weight of 603.67 g/mol. Its IUPAC name is 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID158398309
Molecular FormulaC27H29N11O4S
Molecular Weight603.67 g/mol
Exact Mass603.21
IUPAC Name2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2cnc[nH]2)cc2c(C)nc(N)nc21.CCn1c(=O)c(-c2cnc[nH]2)cc2c(C)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C14H15N5O3S.C13H14N6O/c1-4-19-12-9(8(2)17-14(18-12)23(3,21)22)5-10(13(19)20)11-6-15-7-16-11;1-3-19-11-8(7(2)17-13(14)18-11)4-9(12(19)20)10-5-15-6-16-10/h5-7H,4H2,1-3H3,(H,15,16);4-6H,3H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyGXUFWOWFRXTADR-UHFFFAOYSA-N
XLogP2.01
TPSA213.08 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.67
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 158398309) is 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cnc[nH]2)cc2c(C)nc(N)nc21.CCn1c(=O)c(-c2cnc[nH]2)cc2c(C)nc(S(C)(=O)=O)nc21.
What is the InChIKey of 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GXUFWOWFRXTADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S.C13H14N6O/c1-4-19-12-9(8(2)17-14(18-12)23(3,21)22)5-10(13(19)20)11-6-15-7-16-11;1-3-19-11-8(7(2)17-13(14)18-11)4-9(12(19)20)10-5-15-6-16-10/h5-7H,4H2,1-3H3,(H,15,16);4-6H,3H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 603.67 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158398309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).