1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one

C21H28N4O2 — CID 42473388

IUPAC1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1nc(OC(C)C)cc(N2CCN(C(=O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-16(2)27-20-15-19(22-17(3)23-20)24-11-13-25(14-12-24)21(26)10-9-18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3
InChIKeyWRXLFTSBFMPGAX-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.85
Rot. Bonds6

About 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 42473388) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID42473388
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1nc(OC(C)C)cc(N2CCN(C(=O)CCc3ccccc3)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-16(2)27-20-15-19(22-17(3)23-20)24-11-13-25(14-12-24)21(26)10-9-18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3
InChIKeyWRXLFTSBFMPGAX-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 42473388) is 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one is Cc1nc(OC(C)C)cc(N2CCN(C(=O)CCc3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is WRXLFTSBFMPGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16(2)27-20-15-19(22-17(3)23-20)24-11-13-25(14-12-24)21(26)10-9-18-7-5-4-6-8-18/h4-8,15-16H,9-14H2,1-3H3.
What are the key properties of 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 368.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 42473388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).