N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

C18H29N5 — CID 112885536

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(NCCC3=CCCCC3)n2)CC1
InChIInChI=1S/C18H29N5/c1-2-22-12-14-23(15-13-22)17-9-11-20-18(21-17)19-10-8-16-6-4-3-5-7-16/h6,9,11H,2-5,7-8,10,12-15H2,1H3,(H,19,20,21)
InChIKeyPCRDXIUMERJAQX-UHFFFAOYSA-N
MW315.47 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112885536) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112885536
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(NCCC3=CCCCC3)n2)CC1
InChIInChI=1S/C18H29N5/c1-2-22-12-14-23(15-13-22)17-9-11-20-18(21-17)19-10-8-16-6-4-3-5-7-16/h6,9,11H,2-5,7-8,10,12-15H2,1H3,(H,19,20,21)
InChIKeyPCRDXIUMERJAQX-UHFFFAOYSA-N
XLogP2.92
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112885578
4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882670
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112943170
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112885650
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112885641
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138370
1-[2-(cyclohexen-1-yl)ethyl]-3-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylguanidine
CID 111209112
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112885606
1-[2-(cyclohexen-1-yl)ethyl]-3-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111209111
N-[2-(cyclohexen-1-yl)ethyl]-5-(4-ethylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109275377
N-[2-(cyclohexen-1-yl)ethyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112943154

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (CID 112885536) is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is CCN1CCN(c2ccnc(NCCC3=CCCCC3)n2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is PCRDXIUMERJAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-2-22-12-14-23(15-13-22)17-9-11-20-18(21-17)19-10-8-16-6-4-3-5-7-16/h6,9,11H,2-5,7-8,10,12-15H2,1H3,(H,19,20,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 315.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112885536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).