4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane

C19H30N6O2 — CID 145048184

IUPAC4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane
SMILESCC.Cc1nc(-c2c(C)noc2C)cc(N2CCN(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C17H24N6O2.C2H6/c1-11-16(12(2)25-20-11)14-10-15(19-13(3)18-14)22-6-8-23(9-7-22)17(24)21(4)5;1-2/h10H,6-9H2,1-5H3;1-2H3
InChIKeyPHMLRVNWRAXALK-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.89
Rot. Bonds2

About 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane (PubChem CID 145048184) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane.

Molecular Properties

Compound Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane
PubChem CID145048184
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane
SMILESCC.Cc1nc(-c2c(C)noc2C)cc(N2CCN(C(=O)N(C)C)CC2)n1
InChIInChI=1S/C17H24N6O2.C2H6/c1-11-16(12(2)25-20-11)14-10-15(19-13(3)18-14)22-6-8-23(9-7-22)17(24)21(4)5;1-2/h10H,6-9H2,1-5H3;1-2H3
InChIKeyPHMLRVNWRAXALK-UHFFFAOYSA-N
XLogP2.89
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane?
The IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane (CID 145048184) is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane.
What is the SMILES notation for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane?
The canonical SMILES for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane is CC.Cc1nc(-c2c(C)noc2C)cc(N2CCN(C(=O)N(C)C)CC2)n1.
What is the InChIKey of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane?
The InChIKey is PHMLRVNWRAXALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2.C2H6/c1-11-16(12(2)25-20-11)14-10-15(19-13(3)18-14)22-6-8-23(9-7-22)17(24)21(4)5;1-2/h10H,6-9H2,1-5H3;1-2H3.
What are the key properties of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane?
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane has a molecular weight of 374.49 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;ethane is sourced from PubChem (CID 145048184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).