(2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C18H28N4O2 — CID 46954682

IUPAC(2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3(C)CCCO3)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H28N4O2/c1-13(2)16-19-14(3)12-15(20-16)21-7-9-22(10-8-21)17(23)18(4)6-5-11-24-18/h12-13H,5-11H2,1-4H3
InChIKeyTZTCXEBMMOSKGA-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.13
Rot. Bonds3

About (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 46954682) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID46954682
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1cc(N2CCN(C(=O)C3(C)CCCO3)CC2)nc(C(C)C)n1
InChIInChI=1S/C18H28N4O2/c1-13(2)16-19-14(3)12-15(20-16)21-7-9-22(10-8-21)17(23)18(4)6-5-11-24-18/h12-13H,5-11H2,1-4H3
InChIKeyTZTCXEBMMOSKGA-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 46954682) is (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)C3(C)CCCO3)CC2)nc(C(C)C)n1.
What is the InChIKey of (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is TZTCXEBMMOSKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(2)16-19-14(3)12-15(20-16)21-7-9-22(10-8-21)17(23)18(4)6-5-11-24-18/h12-13H,5-11H2,1-4H3.
What are the key properties of (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 332.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46954682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).