1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine

C13H19N5O — CID 64573617

IUPAC1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine
SMILESCn1ncc2c(OCC3(N)CCCCC3)ncnc21
InChIInChI=1S/C13H19N5O/c1-18-11-10(7-17-18)12(16-9-15-11)19-8-13(14)5-3-2-4-6-13/h7,9H,2-6,8,14H2,1H3
InChIKeyWSYPNRKHKSAYIE-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.40
Rot. Bonds3

About 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine

1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine (PubChem CID 64573617) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine
PubChem CID64573617
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine
SMILESCn1ncc2c(OCC3(N)CCCCC3)ncnc21
InChIInChI=1S/C13H19N5O/c1-18-11-10(7-17-18)12(16-9-15-11)19-8-13(14)5-3-2-4-6-13/h7,9H,2-6,8,14H2,1H3
InChIKeyWSYPNRKHKSAYIE-UHFFFAOYSA-N
XLogP1.40
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine (CID 64573617) is 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine is Cn1ncc2c(OCC3(N)CCCCC3)ncnc21.
What is the InChIKey of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine?
The InChIKey is WSYPNRKHKSAYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18-11-10(7-17-18)12(16-9-15-11)19-8-13(14)5-3-2-4-6-13/h7,9H,2-6,8,14H2,1H3.
What are the key properties of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine?
1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 64573617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).