N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C15H20N4 — CID 162628047

IUPACN-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccnn2c(NCC2=CCCCC2)c1C
InChIInChI=1S/C15H20N4/c1-11-12(2)18-14-8-9-17-19(14)15(11)16-10-13-6-4-3-5-7-13/h6,8-9,16H,3-5,7,10H2,1-2H3
InChIKeyGSNRCUSVFYBGBK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.26
Rot. Bonds3

About N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162628047) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID162628047
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccnn2c(NCC2=CCCCC2)c1C
InChIInChI=1S/C15H20N4/c1-11-12(2)18-14-8-9-17-19(14)15(11)16-10-13-6-4-3-5-7-13/h6,8-9,16H,3-5,7,10H2,1-2H3
InChIKeyGSNRCUSVFYBGBK-UHFFFAOYSA-N
XLogP3.26
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 162629207
5,6-dimethyl-N-[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 163315348
7-(benzylamino)-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;molecular hydrogen
CID 158886833
5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 162630201
3-[(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]azepan-2-one
CID 162629690
9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 145096689
2-(cyclohexen-1-yl)-N-methyl-1-(2-propan-2-ylpyrazol-3-yl)ethanamine
CID 114197720
cyclohexen-1-ylmethyl(trimethyl)silane
CID 10964921
N-[2-(cyclohexen-1-yl)ethyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8890756
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453332
N-[2-(cyclohexen-1-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 60701805

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 162628047) is N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ccnn2c(NCC2=CCCCC2)c1C.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GSNRCUSVFYBGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-12(2)18-14-8-9-17-19(14)15(11)16-10-13-6-4-3-5-7-13/h6,8-9,16H,3-5,7,10H2,1-2H3.
What are the key properties of N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 256.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162628047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).