4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide

C16H17N7O2 — CID 167516645

IUPAC4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
SMILESCc1nc(-c2cnc(Nc3ccc(C(=O)N(C)C)cc3)nc2N)no1
InChIInChI=1S/C16H17N7O2/c1-9-19-14(22-25-9)12-8-18-16(21-13(12)17)20-11-6-4-10(5-7-11)15(24)23(2)3/h4-8H,1-3H3,(H3,17,18,20,21)
InChIKeyDDJMZSOCDGXBKW-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.86
Rot. Bonds4

About 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide

4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide (PubChem CID 167516645) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
PubChem CID167516645
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
SMILESCc1nc(-c2cnc(Nc3ccc(C(=O)N(C)C)cc3)nc2N)no1
InChIInChI=1S/C16H17N7O2/c1-9-19-14(22-25-9)12-8-18-16(21-13(12)17)20-11-6-4-10(5-7-11)15(24)23(2)3/h4-8H,1-3H3,(H3,17,18,20,21)
InChIKeyDDJMZSOCDGXBKW-UHFFFAOYSA-N
XLogP1.86
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

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
4-[[4-amino-5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide
CID 167517039
4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide
CID 167517548
5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 167517003
4-[[4-amino-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide;2-phenylethanol
CID 167517391
4-[[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
CID 167517508
1-[4-amino-2-(4-methylanilino)pyrimidin-5-yl]ethanone
CID 143902091
4-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
CID 167517102
4-[[4-amino-5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-yl]amino]-2-chloro-N-methylbenzamide
CID 167517070
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
N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 136562477
1-[4-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 5271605

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide (CID 167516645) is 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide is Cc1nc(-c2cnc(Nc3ccc(C(=O)N(C)C)cc3)nc2N)no1.
What is the InChIKey of 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is DDJMZSOCDGXBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-9-19-14(22-25-9)12-8-18-16(21-13(12)17)20-11-6-4-10(5-7-11)15(24)23(2)3/h4-8H,1-3H3,(H3,17,18,20,21).
What are the key properties of 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 339.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 167516645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).