1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine

C13H18N4O — CID 113296854

IUPAC1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine
SMILESNC1(COc2ccn3nccc3n2)CCCCC1
InChIInChI=1S/C13H18N4O/c14-13(6-2-1-3-7-13)10-18-12-5-9-17-11(16-12)4-8-15-17/h4-5,8-9H,1-3,6-7,10,14H2
InChIKeyKCXXADPFKBHCRF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.77
Rot. Bonds3

About 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine

1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine (PubChem CID 113296854) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine
PubChem CID113296854
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine
SMILESNC1(COc2ccn3nccc3n2)CCCCC1
InChIInChI=1S/C13H18N4O/c14-13(6-2-1-3-7-13)10-18-12-5-9-17-11(16-12)4-8-15-17/h4-5,8-9H,1-3,6-7,10,14H2
InChIKeyKCXXADPFKBHCRF-UHFFFAOYSA-N
XLogP1.77
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11578061, Example 5
CID 165385809
US11578061, Example 3
CID 165385508
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-4-[(4-methylcyclohexyl)methoxy]pyrimidin-2-amine
CID 168388809
7-[(4,4-Difluorocyclohexyl)methoxy]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167893802
2-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331124
5-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331126
2-Butoxy-3-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89810640
4-[(4-methylcyclohexyl)methoxy]-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 168388808
4-(3-Pyrazolo[1,5-a]pyrimidin-5-yloxypropyl)morpholine
CID 172769136
4-(3-Pyrazolo[1,5-a]pyrimidin-7-yloxypropyl)morpholine
CID 172823550
5-(6,6-Dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 175980143
1-[(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
CID 64549997

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine (CID 113296854) is 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine is NC1(COc2ccn3nccc3n2)CCCCC1.
What is the InChIKey of 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine?
The InChIKey is KCXXADPFKBHCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-13(6-2-1-3-7-13)10-18-12-5-9-17-11(16-12)4-8-15-17/h4-5,8-9H,1-3,6-7,10,14H2.
What are the key properties of 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine?
1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 113296854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).