N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine

C17H26N4 — CID 78926107

IUPACN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCc1cc2ncc(CNC3CCCCC3C(C)C)cn2n1
InChIInChI=1S/C17H26N4/c1-12(2)15-6-4-5-7-16(15)18-9-14-10-19-17-8-13(3)20-21(17)11-14/h8,10-12,15-16,18H,4-7,9H2,1-3H3
InChIKeyDQQCTPRNUBFUDE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.34
Rot. Bonds4

About N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 78926107) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID78926107
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCc1cc2ncc(CNC3CCCCC3C(C)C)cn2n1
InChIInChI=1S/C17H26N4/c1-12(2)15-6-4-5-7-16(15)18-9-14-10-19-17-8-13(3)20-21(17)11-14/h8,10-12,15-16,18H,4-7,9H2,1-3H3
InChIKeyDQQCTPRNUBFUDE-UHFFFAOYSA-N
XLogP3.34
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclohexan-1-amine
CID 64739714
2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-1-ol
CID 115644595
N'-cyclopentyl-N'-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethane-1,2-diamine
CID 63379377
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62404768
1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
CID 65047758
4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol
CID 103700937
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-4-ylethanamine
CID 62405315
5-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]piperidin-2-one
CID 55226100
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866
1-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]cyclobutan-1-amine
CID 115765667
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 103743449
(1S)-1-(2-methylphenyl)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 81354135

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine (CID 78926107) is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine is Cc1cc2ncc(CNC3CCCCC3C(C)C)cn2n1.
What is the InChIKey of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is DQQCTPRNUBFUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12(2)15-6-4-5-7-16(15)18-9-14-10-19-17-8-13(3)20-21(17)11-14/h8,10-12,15-16,18H,4-7,9H2,1-3H3.
What are the key properties of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine?
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 78926107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).