4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C15H23N5 — CID 77093590

IUPAC4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(C3=CCCCC3)nc(N)n2)CC1
InChIInChI=1S/C15H23N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h5,11H,2-4,6-10H2,1H3,(H2,16,17,18)
InChIKeyVMZUTCPRVGBZNW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.77
Rot. Bonds2

About 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 77093590) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID77093590
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(C3=CCCCC3)nc(N)n2)CC1
InChIInChI=1S/C15H23N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h5,11H,2-4,6-10H2,1H3,(H2,16,17,18)
InChIKeyVMZUTCPRVGBZNW-UHFFFAOYSA-N
XLogP1.77
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 77093590) is 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(C3=CCCCC3)nc(N)n2)CC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is VMZUTCPRVGBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h5,11H,2-4,6-10H2,1H3,(H2,16,17,18).
What are the key properties of 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 77093590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).