2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide

C20H27N5O2 — CID 90543816

IUPAC2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(N3CCN(C)CC3)ncn2)cc1C
InChIInChI=1S/C20H27N5O2/c1-14-5-6-17(11-15(14)2)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)
InChIKeyYVAJKYRCRUCVMK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.25
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide

2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide (PubChem CID 90543816) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
PubChem CID90543816
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cc(N3CCN(C)CC3)ncn2)cc1C
InChIInChI=1S/C20H27N5O2/c1-14-5-6-17(11-15(14)2)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)
InChIKeyYVAJKYRCRUCVMK-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

N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-phenoxypropanamide
CID 90543811
2-(2,5-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide
CID 90543818
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
1-[2-(4-methoxyphenyl)ethyl]-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544075
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
1-[4-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858450
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90543921
2-(2-chlorophenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)propanamide
CID 90544210
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide (CID 90543816) is 2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide is Cc1ccc(OC(C)C(=O)Nc2cc(N3CCN(C)CC3)ncn2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide?
The InChIKey is YVAJKYRCRUCVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-5-6-17(11-15(14)2)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-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide?
2-(3,4-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-(3,4-dimethylphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 90543816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).