4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine

C14H19ClN4O — CID 63220849

IUPAC4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine
SMILESCC1CCC(OCc2nc(Cl)c3cnn(C)c3n2)CC1
InChIInChI=1S/C14H19ClN4O/c1-9-3-5-10(6-4-9)20-8-12-17-13(15)11-7-16-19(2)14(11)18-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyPVSYORGMCAOGHB-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.11
Rot. Bonds3

About 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine

4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 63220849) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine
PubChem CID63220849
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine
SMILESCC1CCC(OCc2nc(Cl)c3cnn(C)c3n2)CC1
InChIInChI=1S/C14H19ClN4O/c1-9-3-5-10(6-4-9)20-8-12-17-13(15)11-7-16-19(2)14(11)18-12/h7,9-10H,3-6,8H2,1-2H3
InChIKeyPVSYORGMCAOGHB-UHFFFAOYSA-N
XLogP3.11
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-methyl-6-(pentoxymethyl)pyrazolo[5,4-d]pyrimidine
CID 63220809
6-(cycloheptyloxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221063
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine
CID 55163508
4-chloro-6-[(2,6-dichlorophenoxy)methyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221035
4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine
CID 63221030
4-chloro-6-[(4-iodophenoxy)methyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221164
4-chloro-6-[(3,4-dichlorophenoxy)methyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221169
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine
CID 63220281
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63220432
2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol
CID 102861442
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 63632297
4-chloro-6-[(3-chlorophenoxy)methyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221073

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine (CID 63220849) is 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine is CC1CCC(OCc2nc(Cl)c3cnn(C)c3n2)CC1.
What is the InChIKey of 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is PVSYORGMCAOGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-9-3-5-10(6-4-9)20-8-12-17-13(15)11-7-16-19(2)14(11)18-12/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine?
4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 294.79 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-[(4-methylcyclohexyl)oxymethyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 63220849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).