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

C22H24N6O4S — CID 167517425

IUPAC5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol
SMILESCc1nnc(-c2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc2N)o1.OCCc1ccccc1
InChIInChI=1S/C14H14N6O3S.C8H10O/c1-8-19-20-13(23-8)11-7-16-14(18-12(11)15)17-9-3-5-10(6-4-9)24(2,21)22;9-7-6-8-4-2-1-3-5-8/h3-7H,1-2H3,(H3,15,16,17,18);1-5,9H,6-7H2
InChIKeyAIKFFFDUZYDDHY-UHFFFAOYSA-N
MW468.54 g/mol
LogP2.79
Rot. Bonds6

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

5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol (PubChem CID 167517425) has the molecular formula C22H24N6O4S and a molecular weight of 468.54 g/mol. Its IUPAC name is 5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol.

Molecular Properties

Compound Name5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol
PubChem CID167517425
Molecular FormulaC22H24N6O4S
Molecular Weight468.54 g/mol
Exact Mass468.16
IUPAC Name5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol
SMILESCc1nnc(-c2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc2N)o1.OCCc1ccccc1
InChIInChI=1S/C14H14N6O3S.C8H10O/c1-8-19-20-13(23-8)11-7-16-14(18-12(11)15)17-9-3-5-10(6-4-9)24(2,21)22;9-7-6-8-4-2-1-3-5-8/h3-7H,1-2H3,(H3,15,16,17,18);1-5,9H,6-7H2
InChIKeyAIKFFFDUZYDDHY-UHFFFAOYSA-N
XLogP2.79
TPSA157.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-N-(3-fluoro-4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol
CID 167517401
2-N-(3-chloro-4-methylsulfonylphenyl)-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidine-2,4-diamine;2-phenylethanol
CID 167516813
4-[[4-amino-5-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-2-methylbenzamide;2-phenylethanol
CID 167516766
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
5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 167517003
4-[[4-amino-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-2-chloro-N,N-dimethylbenzamide;2-phenylethanol
CID 167516913
4-[[4-amino-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide;2-phenylethanol
CID 167517391
2-N-(3-chloro-4-methylsulfonylphenyl)-5-(1H-1,2,4-triazol-5-yl)pyrimidine-2,4-diamine;2-phenylethanol
CID 167517819
4-[[4-amino-5-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]-2-methylbenzamide;2-phenylethanol
CID 167516849
ethyl 4-amino-2-(3-methyl-4-methylsulfonylanilino)pyrimidine-5-carboxylate;2-phenylethanol
CID 167516820
4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-2-chloro-N,N-dimethylbenzamide;2-phenylethanol
CID 167517035

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol?
The IUPAC name of 5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol (CID 167517425) is 5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol.
What is the SMILES notation for 5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol?
The canonical SMILES for 5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol is Cc1nnc(-c2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc2N)o1.OCCc1ccccc1.
What is the InChIKey of 5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol?
The InChIKey is AIKFFFDUZYDDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3S.C8H10O/c1-8-19-20-13(23-8)11-7-16-14(18-12(11)15)17-9-3-5-10(6-4-9)24(2,21)22;9-7-6-8-4-2-1-3-5-8/h3-7H,1-2H3,(H3,15,16,17,18);1-5,9H,6-7H2.
What are the key properties of 5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol?
5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol has a molecular weight of 468.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine;2-phenylethanol is sourced from PubChem (CID 167517425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).