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

C17H19N7OS — CID 167517548

IUPAC4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide
SMILESCc1nnc(-c2cnc(Nc3ccc(C(=O)N(C)C)c(C)c3)nc2N)s1
InChIInChI=1S/C17H19N7OS/c1-9-7-11(5-6-12(9)16(25)24(3)4)20-17-19-8-13(14(18)21-17)15-23-22-10(2)26-15/h5-8H,1-4H3,(H3,18,19,20,21)
InChIKeyDOZKQXRRMGXDSU-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.64
Rot. Bonds4

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

4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide (PubChem CID 167517548) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide
PubChem CID167517548
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide
SMILESCc1nnc(-c2cnc(Nc3ccc(C(=O)N(C)C)c(C)c3)nc2N)s1
InChIInChI=1S/C17H19N7OS/c1-9-7-11(5-6-12(9)16(25)24(3)4)20-17-19-8-13(14(18)21-17)15-23-22-10(2)26-15/h5-8H,1-4H3,(H3,18,19,20,21)
InChIKeyDOZKQXRRMGXDSU-UHFFFAOYSA-N
XLogP2.64
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-2-methylbenzamide;2-phenylethanol
CID 167516968
4-[[4-amino-5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide
CID 167517039
2-N-(3-chloro-4-methylsulfonylphenyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-2,4-diamine
CID 167517266
4-[[4-amino-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide;2-phenylethanol
CID 167517391
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-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
CID 167516645
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-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-2-yl]amino]-2-methylbenzamide;2-phenylethanol
CID 167516849
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-acetamido-N,N,2-trimethylbenzamide
CID 21338871
4-[[4-amino-5-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-2-methylbenzamide;2-phenylethanol
CID 167516766
4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
CID 119332625

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide?
The IUPAC name of 4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide (CID 167517548) is 4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide is Cc1nnc(-c2cnc(Nc3ccc(C(=O)N(C)C)c(C)c3)nc2N)s1.
What is the InChIKey of 4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide?
The InChIKey is DOZKQXRRMGXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-9-7-11(5-6-12(9)16(25)24(3)4)20-17-19-8-13(14(18)21-17)15-23-22-10(2)26-15/h5-8H,1-4H3,(H3,18,19,20,21).
What are the key properties of 4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide?
4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 2.64, 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-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 167517548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).