3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine

C16H24N4 — CID 64739714

IUPAC3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine
SMILESCc1cc2ncc(CNC3CCC(C)C(C)C3)cn2n1
InChIInChI=1S/C16H24N4/c1-11-4-5-15(6-12(11)2)17-8-14-9-18-16-7-13(3)19-20(16)10-14/h7,9-12,15,17H,4-6,8H2,1-3H3
InChIKeyGMDGSQZUHGXAPH-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.95
Rot. Bonds3

About 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine

3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine (PubChem CID 64739714) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine
PubChem CID64739714
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine
SMILESCc1cc2ncc(CNC3CCC(C)C(C)C3)cn2n1
InChIInChI=1S/C16H24N4/c1-11-4-5-15(6-12(11)2)17-8-14-9-18-16-7-13(3)19-20(16)10-14/h7,9-12,15,17H,4-6,8H2,1-3H3
InChIKeyGMDGSQZUHGXAPH-UHFFFAOYSA-N
XLogP2.95
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78926107
5-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]piperidin-2-one
CID 55226100
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62404768
6-[(cyclopropylamino)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 114514780
1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine
CID 115765667
5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934149
2-methyl-6-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine
CID 84784857
N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine
CID 63379377
1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]methanamine
CID 62405327
2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55234828
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine (CID 64739714) is 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine is Cc1cc2ncc(CNC3CCC(C)C(C)C3)cn2n1.
What is the InChIKey of 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine?
The InChIKey is GMDGSQZUHGXAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11-4-5-15(6-12(11)2)17-8-14-9-18-16-7-13(3)19-20(16)10-14/h7,9-12,15,17H,4-6,8H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine?
3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64739714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).