2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide

C20H27N5O2 — CID 90543818

IUPAC2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cc(N3CCN(C)CC3)ncn2)c1
InChIInChI=1S/C20H27N5O2/c1-14-5-6-15(2)17(11-14)27-16(3)20(26)23-18-12-19(22-13-21-18)25-9-7-24(4)8-10-25/h5-6,11-13,16H,7-10H2,1-4H3,(H,21,22,23,26)
InChIKeyIAYWOULBJJROQI-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.25
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide

2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide (PubChem CID 90543818) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
PubChem CID90543818
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2cc(N3CCN(C)CC3)ncn2)c1
InChIInChI=1S/C20H27N5O2/c1-14-5-6-15(2)17(11-14)27-16(3)20(26)23-18-12-19(22-13-21-18)25-9-7-24(4)8-10-25/h5-6,11-13,16H,7-10H2,1-4H3,(H,21,22,23,26)
InChIKeyIAYWOULBJJROQI-UHFFFAOYSA-N
XLogP2.25
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.25
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
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide
CID 90543811
(2R)-2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712980
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
(2R)-2-(2,5-dimethylphenoxy)-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide
CID 51868113
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(2-tert-butyl-4-methylphenoxy)propanamide
CID 90545630
2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
CID 90544210
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide (CID 90543818) is 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide is Cc1ccc(C)c(OC(C)C(=O)Nc2cc(N3CCN(C)CC3)ncn2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide?
The InChIKey is IAYWOULBJJROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-5-6-15(2)17(11-14)27-16(3)20(26)23-18-12-19(22-13-21-18)25-9-7-24(4)8-10-25/h5-6,11-13,16H,7-10H2,1-4H3,(H,21,22,23,26).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide?
2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 90543818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).