2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

C16H22N4 — CID 62404588

IUPAC2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCc1cc2ncc(CNCCC3=CCCCC3)cn2n1
InChIInChI=1S/C16H22N4/c1-13-9-16-18-11-15(12-20(16)19-13)10-17-8-7-14-5-3-2-4-6-14/h5,9,11-12,17H,2-4,6-8,10H2,1H3
InChIKeyIEHQRPOJEHVXTI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.02
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (PubChem CID 62404588) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
PubChem CID62404588
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESCc1cc2ncc(CNCCC3=CCCCC3)cn2n1
InChIInChI=1S/C16H22N4/c1-13-9-16-18-11-15(12-20(16)19-13)10-17-8-7-14-5-3-2-4-6-14/h5,9,11-12,17H,2-4,6-8,10H2,1H3
InChIKeyIEHQRPOJEHVXTI-UHFFFAOYSA-N
XLogP3.02
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104747092
2-(3-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 62403888
N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine
CID 63379377
N',N'-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butane-1,4-diamine
CID 62406558
2-(cyclopenten-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115762905
5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine
CID 102536285
N,N-dimethyl-1-[[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]methyl]cyclobutan-1-amine
CID 105414494
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]hex-5-yn-1-amine
CID 103757618
2-(cyclohexen-1-yl)-N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 102536081
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62405842
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
2-(2,2-difluoroethoxy)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 103080968

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (CID 62404588) is 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is Cc1cc2ncc(CNCCC3=CCCCC3)cn2n1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The InChIKey is IEHQRPOJEHVXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-9-16-18-11-15(12-20(16)19-13)10-17-8-7-14-5-3-2-4-6-14/h5,9,11-12,17H,2-4,6-8,10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is sourced from PubChem (CID 62404588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).