5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine

C14H14N6O3S — CID 167517003

IUPAC5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1noc(-c2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc2N)n1
InChIInChI=1S/C14H14N6O3S/c1-8-17-13(23-20-8)11-7-16-14(19-12(11)15)18-9-3-5-10(6-4-9)24(2,21)22/h3-7H,1-2H3,(H3,15,16,18,19)
InChIKeyAGMXERGUXWPFGH-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.56
Rot. Bonds4

About 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine

5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 167517003) has the molecular formula C14H14N6O3S and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID167517003
Molecular FormulaC14H14N6O3S
Molecular Weight346.37 g/mol
Exact Mass346.08
IUPAC Name5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCc1noc(-c2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc2N)n1
InChIInChI=1S/C14H14N6O3S/c1-8-17-13(23-20-8)11-7-16-14(19-12(11)15)18-9-3-5-10(6-4-9)24(2,21)22/h3-7H,1-2H3,(H3,15,16,18,19)
InChIKeyAGMXERGUXWPFGH-UHFFFAOYSA-N
XLogP1.56
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol
CID 167517425
2-N-(3-fluoro-4-methylsulfonylphenyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidine-2,4-diamine
CID 167517434
2-N-(3-methyl-4-methylsulfonylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrimidine-2,4-diamine;2-phenylethanol
CID 167517555
4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
CID 167516645
5-methyl-2-N-(6-methylsulfonyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 141275069
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544
4-[(4-amino-5-cyanopyrimidin-2-yl)amino]benzenesulfonyl fluoride
CID 22393274
2-N-(3-fluoro-4-methylsulfonylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 167516675
4-[[4-amino-5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-yl]amino]-2-chloro-N-methylbenzamide
CID 167517070
5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-N-(1-oxo-3,4-dihydro-2H-thiochromen-6-yl)pyrimidine-2,4-diamine
CID 167516560
6-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3-methylsulfonylphenyl)methyl]pyridin-3-amine
CID 167753272
2-N-(3-chloro-4-methylsulfonylphenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-2,4-diamine
CID 167517266

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine (CID 167517003) is 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine is Cc1noc(-c2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc2N)n1.
What is the InChIKey of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is AGMXERGUXWPFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3S/c1-8-17-13(23-20-8)11-7-16-14(19-12(11)15)18-9-3-5-10(6-4-9)24(2,21)22/h3-7H,1-2H3,(H3,15,16,18,19).
What are the key properties of 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine?
5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 346.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 167517003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).