5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol

C13H20ClN5O — CID 107198979

IUPAC5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C13H20ClN5O/c1-18(6-4-3-5-7-20)9-11-16-12(14)10-8-15-19(2)13(10)17-11/h8,20H,3-7,9H2,1-2H3
InChIKeyUHBGVNXEKUMKCP-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.61
Rot. Bonds7

About 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol

5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol (PubChem CID 107198979) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol
PubChem CID107198979
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C13H20ClN5O/c1-18(6-4-3-5-7-20)9-11-16-12(14)10-8-15-19(2)13(10)17-11/h8,20H,3-7,9H2,1-2H3
InChIKeyUHBGVNXEKUMKCP-UHFFFAOYSA-N
XLogP1.61
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol (CID 107198979) is 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol is CN(CCCCCO)Cc1nc(Cl)c2cnn(C)c2n1.
What is the InChIKey of 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol?
The InChIKey is UHBGVNXEKUMKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-18(6-4-3-5-7-20)9-11-16-12(14)10-8-15-19(2)13(10)17-11/h8,20H,3-7,9H2,1-2H3.
What are the key properties of 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol?
5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol has a molecular weight of 297.79 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107198979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).