4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide

C17H25N7O2 — CID 121495368

IUPAC4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1ncnc(N2CCN(C(=O)NCc3noc(C(C)C)n3)CC2)c1C
InChIInChI=1S/C17H25N7O2/c1-11(2)16-21-14(22-26-16)9-18-17(25)24-7-5-23(6-8-24)15-12(3)13(4)19-10-20-15/h10-11H,5-9H2,1-4H3,(H,18,25)
InChIKeyXQZIPDXDMVJCKE-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.63
Rot. Bonds4

About 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide

4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 121495368) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
PubChem CID121495368
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1ncnc(N2CCN(C(=O)NCc3noc(C(C)C)n3)CC2)c1C
InChIInChI=1S/C17H25N7O2/c1-11(2)16-21-14(22-26-16)9-18-17(25)24-7-5-23(6-8-24)15-12(3)13(4)19-10-20-15/h10-11H,5-9H2,1-4H3,(H,18,25)
InChIKeyXQZIPDXDMVJCKE-UHFFFAOYSA-N
XLogP1.63
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-Methylpropyl)-3-(2-piperazin-1-ylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 45588219
3-(2-Piperazin-1-ylpyrimidin-4-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 45588450
2-N,2-N,4-N-trimethyl-4-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56754203
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56755030
N-Methyl-5-{[(2,5,6-trimethylpyrimidin-4-YL)amino]methyl}-1,2,4-oxadiazole-3-carboxamide
CID 72881712
5-fluoro-6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703209
5-Fluoro-4-methyl-6-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl}pyrimidine
CID 145869032
5-Fluoro-4-methyl-6-(4-{[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)pyrimidine
CID 145869075
4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146102409
4-[(3R)-3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-N,N,5,6-tetramethylpyrimidine-2-carboxamide
CID 146102429
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 154888310
2-Tert-butyl-5-fluoro-4-methyl-6-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl}pyrimidine
CID 155798402

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide (CID 121495368) is 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide is Cc1ncnc(N2CCN(C(=O)NCc3noc(C(C)C)n3)CC2)c1C.
What is the InChIKey of 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is XQZIPDXDMVJCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-11(2)16-21-14(22-26-16)9-18-17(25)24-7-5-23(6-8-24)15-12(3)13(4)19-10-20-15/h10-11H,5-9H2,1-4H3,(H,18,25).
What are the key properties of 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide?
4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylpyrimidin-4-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 121495368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).