2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole

C14H19N5O — CID 175387628

IUPAC2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1ncnc(N2CCN(Cc3ncco3)CC2)c1C
InChIInChI=1S/C14H19N5O/c1-11-12(2)16-10-17-14(11)19-6-4-18(5-7-19)9-13-15-3-8-20-13/h3,8,10H,4-7,9H2,1-2H3
InChIKeyCCMBRXYJRRVGOG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.40
Rot. Bonds3

About 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole

2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 175387628) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID175387628
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1ncnc(N2CCN(Cc3ncco3)CC2)c1C
InChIInChI=1S/C14H19N5O/c1-11-12(2)16-10-17-14(11)19-6-4-18(5-7-19)9-13-15-3-8-20-13/h3,8,10H,4-7,9H2,1-2H3
InChIKeyCCMBRXYJRRVGOG-UHFFFAOYSA-N
XLogP1.40
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole (CID 175387628) is 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole is Cc1ncnc(N2CCN(Cc3ncco3)CC2)c1C.
What is the InChIKey of 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is CCMBRXYJRRVGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-12(2)16-10-17-14(11)19-6-4-18(5-7-19)9-13-15-3-8-20-13/h3,8,10H,4-7,9H2,1-2H3.
What are the key properties of 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 273.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 175387628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).