2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C21H27N5O — CID 136559335

IUPAC2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C21H27N5O/c1-15-4-3-5-16(2)21(15)24-20(27)13-25-8-10-26(11-9-25)19-12-18(17-6-7-17)22-14-23-19/h3-5,12,14,17H,6-11,13H2,1-2H3,(H,24,27)
InChIKeyRYLUTPPCYOWISL-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.73
Rot. Bonds5

About 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 136559335) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID136559335
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C21H27N5O/c1-15-4-3-5-16(2)21(15)24-20(27)13-25-8-10-26(11-9-25)19-12-18(17-6-7-17)22-14-23-19/h3-5,12,14,17H,6-11,13H2,1-2H3,(H,24,27)
InChIKeyRYLUTPPCYOWISL-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 35919031
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133416210
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133416212
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133424264
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
(2R)-N-cyclohexyl-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51627460
3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788147
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 138992592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 136559335) is 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is RYLUTPPCYOWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-4-3-5-16(2)21(15)24-20(27)13-25-8-10-26(11-9-25)19-12-18(17-6-7-17)22-14-23-19/h3-5,12,14,17H,6-11,13H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 136559335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).