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

C17H27N5O — CID 90543700

IUPAC2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
SMILESCN1CCN(c2cc(NC(=O)CC3CCCCC3)ncn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-7-9-22(10-8-21)16-12-15(18-13-19-16)20-17(23)11-14-5-3-2-4-6-14/h12-14H,2-11H2,1H3,(H,18,19,20,23)
InChIKeyWWJIWXXZUFXRMX-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.14
Rot. Bonds4

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

2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 90543700) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID90543700
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
SMILESCN1CCN(c2cc(NC(=O)CC3CCCCC3)ncn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-7-9-22(10-8-21)16-12-15(18-13-19-16)20-17(23)11-14-5-3-2-4-6-14/h12-14H,2-11H2,1H3,(H,18,19,20,23)
InChIKeyWWJIWXXZUFXRMX-UHFFFAOYSA-N
XLogP2.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide (CID 90543700) is 2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide is CN1CCN(c2cc(NC(=O)CC3CCCCC3)ncn2)CC1.
What is the InChIKey of 2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is WWJIWXXZUFXRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21-7-9-22(10-8-21)16-12-15(18-13-19-16)20-17(23)11-14-5-3-2-4-6-14/h12-14H,2-11H2,1H3,(H,18,19,20,23).
What are the key properties of 2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide?
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 90543700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).