4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine

C12H16N4O — CID 102729364

IUPAC4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
SMILESNC1CCC(Oc2ccn3nccc3n2)CC1
InChIInChI=1S/C12H16N4O/c13-9-1-3-10(4-2-9)17-12-6-8-16-11(15-12)5-7-14-16/h5-10H,1-4,13H2
InChIKeyDNYCHLYZKVETIK-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.38
Rot. Bonds2

About 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine

4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine (PubChem CID 102729364) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine.

Molecular Properties

Compound Name4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
PubChem CID102729364
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine
SMILESNC1CCC(Oc2ccn3nccc3n2)CC1
InChIInChI=1S/C12H16N4O/c13-9-1-3-10(4-2-9)17-12-6-8-16-11(15-12)5-7-14-16/h5-10H,1-4,13H2
InChIKeyDNYCHLYZKVETIK-UHFFFAOYSA-N
XLogP1.38
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11578061, Example 3
CID 165385508
2-Propan-2-yloxypyrazolo[1,5-a]pyrimidin-6-amine
CID 67053221
N-(trans-4-methoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 68492161
2-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331124
5-Hexoxypyrazolo[1,5-a]pyrimidine
CID 69331126
3-(3-Bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypropan-1-amine
CID 90448191
3-Bromo-5-piperidin-4-yloxypyrazolo[1,5-a]pyrimidine
CID 118975178
5-Ethoxypyrazolo[1,5-a]pyrimidin-7-amine
CID 139812544
5-Propoxypyrazolo[1,5-a]pyrimidin-7-amine
CID 139812548
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
5-Ethoxypyrazolo[1,5-a]pyrimidine
CID 155379648

Frequently Asked Questions

What is the IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine?
The IUPAC name of 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine (CID 102729364) is 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine.
What is the SMILES notation for 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine?
The canonical SMILES for 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine is NC1CCC(Oc2ccn3nccc3n2)CC1.
What is the InChIKey of 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine?
The InChIKey is DNYCHLYZKVETIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-9-1-3-10(4-2-9)17-12-6-8-16-11(15-12)5-7-14-16/h5-10H,1-4,13H2.
What are the key properties of 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine?
4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazolo[1,5-a]pyrimidin-5-yloxycyclohexan-1-amine is sourced from PubChem (CID 102729364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).