N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine

C13H10FN5O2S — CID 19709302

IUPACN-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCS(=O)(=O)c1ncc2ncnc(Nc3cccc(F)c3)c2n1
InChIInChI=1S/C13H10FN5O2S/c1-22(20,21)13-15-6-10-11(19-13)12(17-7-16-10)18-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,17,18)
InChIKeyPZEZQOYABWTITI-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.71
Rot. Bonds3

About N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine

N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 19709302) has the molecular formula C13H10FN5O2S and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine
PubChem CID19709302
Molecular FormulaC13H10FN5O2S
Molecular Weight319.32 g/mol
Exact Mass319.05
IUPAC NameN-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine
SMILESCS(=O)(=O)c1ncc2ncnc(Nc3cccc(F)c3)c2n1
InChIInChI=1S/C13H10FN5O2S/c1-22(20,21)13-15-6-10-11(19-13)12(17-7-16-10)18-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,17,18)
InChIKeyPZEZQOYABWTITI-UHFFFAOYSA-N
XLogP1.71
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chloro-3-nitrophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine
CID 19709311
4-N-(6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-yl)-2-nitrobenzene-1,4-diamine
CID 19709102
4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 5328346
N-[3-methyl-4-[(1-methylbenzimidazol-5-yl)methyl]phenyl]-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine
CID 169133534
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295223
6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295551
4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709380
4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 54064351
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
CID 66342584

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine (CID 19709302) is N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine is CS(=O)(=O)c1ncc2ncnc(Nc3cccc(F)c3)c2n1.
What is the InChIKey of N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is PZEZQOYABWTITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2S/c1-22(20,21)13-15-6-10-11(19-13)12(17-7-16-10)18-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine?
N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 319.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-methylsulfonylpyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 19709302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).