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

C14H21N5O — CID 64549997

IUPAC1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
SMILESCn1ncc2c(OCC3(N)CCCCCC3)ncnc21
InChIInChI=1S/C14H21N5O/c1-19-12-11(8-18-19)13(17-10-16-12)20-9-14(15)6-4-2-3-5-7-14/h8,10H,2-7,9,15H2,1H3
InChIKeySISXHVPNLMOQIE-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.79
Rot. Bonds3

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

1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine (PubChem CID 64549997) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
PubChem CID64549997
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine
SMILESCn1ncc2c(OCC3(N)CCCCCC3)ncnc21
InChIInChI=1S/C14H21N5O/c1-19-12-11(8-18-19)13(17-10-16-12)20-9-14(15)6-4-2-3-5-7-14/h8,10H,2-7,9,15H2,1H3
InChIKeySISXHVPNLMOQIE-UHFFFAOYSA-N
XLogP1.79
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.79
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]cycloheptan-1-amine?
The IUPAC name of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine (CID 64549997) is 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine is Cn1ncc2c(OCC3(N)CCCCCC3)ncnc21.
What is the InChIKey of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine?
The InChIKey is SISXHVPNLMOQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-19-12-11(8-18-19)13(17-10-16-12)20-9-14(15)6-4-2-3-5-7-14/h8,10H,2-7,9,15H2,1H3.
What are the key properties of 1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine?
1-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]cycloheptan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 1.79, 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]cycloheptan-1-amine is sourced from PubChem (CID 64549997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).