N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide

C18H23N5O2 — CID 90543811

IUPACN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-14(25-15-6-4-3-5-7-15)18(24)21-16-12-17(20-13-19-16)23-10-8-22(2)9-11-23/h3-7,12-14H,8-11H2,1-2H3,(H,19,20,21,24)
InChIKeyZHLQAXZRMXPXLN-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.63
Rot. Bonds5

About N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide

N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide (PubChem CID 90543811) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide
PubChem CID90543811
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C18H23N5O2/c1-14(25-15-6-4-3-5-7-15)18(24)21-16-12-17(20-13-19-16)23-10-8-22(2)9-11-23/h3-7,12-14H,8-11H2,1-2H3,(H,19,20,21,24)
InChIKeyZHLQAXZRMXPXLN-UHFFFAOYSA-N
XLogP1.63
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
CID 90543816
2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
CID 90543818
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
CID 90543791
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
CID 90544210
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
(2R)-2-phenoxy-1-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 93477996
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylsulfanylpropanamide
CID 90543746
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(2-tert-butyl-4-methylphenoxy)propanamide
CID 90545630

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide (CID 90543811) is N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide?
The InChIKey is ZHLQAXZRMXPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14(25-15-6-4-3-5-7-15)18(24)21-16-12-17(20-13-19-16)23-10-8-22(2)9-11-23/h3-7,12-14H,8-11H2,1-2H3,(H,19,20,21,24).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide?
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide has a molecular weight of 341.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide is sourced from PubChem (CID 90543811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).