N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine

C13H18N4O — CID 102634509

IUPACN-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccn2nccc2n1
InChIInChI=1S/C13H18N4O/c1-14-10-4-2-3-5-11(10)18-13-7-9-17-12(16-13)6-8-15-17/h6-11,14H,2-5H2,1H3
InChIKeyAHIWWVRENAMUOH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.64
Rot. Bonds3

About N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine

N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine (PubChem CID 102634509) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
PubChem CID102634509
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ccn2nccc2n1
InChIInChI=1S/C13H18N4O/c1-14-10-4-2-3-5-11(10)18-13-7-9-17-12(16-13)6-8-15-17/h6-11,14H,2-5H2,1H3
InChIKeyAHIWWVRENAMUOH-UHFFFAOYSA-N
XLogP1.64
TPSA51.45 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11578061, Example 3
CID 165385508
2-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331124
5-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331126
N-[2-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 89489508
3-Bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine
CID 118975178
trans-(1R,3R)-3-N-(5-methoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146558351
trans-(1S,3S)-3-N-(5-ethoxypyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146558689
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-Piperidin-3-yloxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 175980125
5-(6,6-Dimethylpiperidin-3-yl)oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 175980143
1-Methyl-4-(2-piperidin-2-ylethoxy)pyrazolo[5,4-d]pyrimidine
CID 62349109

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine?
The IUPAC name of N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine (CID 102634509) is N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine?
The canonical SMILES for N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine is CNC1CCCCC1Oc1ccn2nccc2n1.
What is the InChIKey of N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine?
The InChIKey is AHIWWVRENAMUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-14-10-4-2-3-5-11(10)18-13-7-9-17-12(16-13)6-8-15-17/h6-11,14H,2-5H2,1H3.
What are the key properties of N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine?
N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine is sourced from PubChem (CID 102634509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).