6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C17H25N5O — CID 70758527

IUPAC6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CC1(C)COC1)c1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C17H25N5O/c1-17(10-23-11-17)9-21(2)15-13-8-18-22(3)16(13)20-14(19-15)12-6-4-5-7-12/h8,12H,4-7,9-11H2,1-3H3
InChIKeyZGLQGMZCSHSXRR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.49
Rot. Bonds4

About 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 70758527) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID70758527
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(CC1(C)COC1)c1nc(C2CCCC2)nc2c1cnn2C
InChIInChI=1S/C17H25N5O/c1-17(10-23-11-17)9-21(2)15-13-8-18-22(3)16(13)20-14(19-15)12-6-4-5-7-12/h8,12H,4-7,9-11H2,1-3H3
InChIKeyZGLQGMZCSHSXRR-UHFFFAOYSA-N
XLogP2.49
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 70758527) is 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is CN(CC1(C)COC1)c1nc(C2CCCC2)nc2c1cnn2C.
What is the InChIKey of 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is ZGLQGMZCSHSXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-17(10-23-11-17)9-21(2)15-13-8-18-22(3)16(13)20-14(19-15)12-6-4-5-7-12/h8,12H,4-7,9-11H2,1-3H3.
What are the key properties of 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-N,1-dimethyl-N-[(3-methyloxetan-3-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70758527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).