N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C16H25N5O — CID 56890077

IUPACN-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NC2(COC)CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C16H25N5O/c1-4-7-13-18-14(12-10-17-21(2)15(12)19-13)20-16(11-22-3)8-5-6-9-16/h10H,4-9,11H2,1-3H3,(H,18,19,20)
InChIKeyQBZMJLFVIJXDGU-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.69
Rot. Bonds6

About N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56890077) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56890077
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NC2(COC)CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C16H25N5O/c1-4-7-13-18-14(12-10-17-21(2)15(12)19-13)20-16(11-22-3)8-5-6-9-16/h10H,4-9,11H2,1-3H3,(H,18,19,20)
InChIKeyQBZMJLFVIJXDGU-UHFFFAOYSA-N
XLogP2.69
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56890077) is N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(NC2(COC)CCCC2)c2cnn(C)c2n1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QBZMJLFVIJXDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-7-13-18-14(12-10-17-21(2)15(12)19-13)20-16(11-22-3)8-5-6-9-16/h10H,4-9,11H2,1-3H3,(H,18,19,20).
What are the key properties of N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 303.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56890077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).