6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C12H17N5O2 — CID 138042244

IUPAC6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NC3(CO)CCCC3)nc21
InChIInChI=1S/C12H17N5O2/c1-17-9-8(6-13-17)10(19)15-11(14-9)16-12(7-18)4-2-3-5-12/h6,18H,2-5,7H2,1H3,(H2,14,15,16,19)
InChIKeyNOEAPMQZDZKTKF-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.37
Rot. Bonds3

About 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 138042244) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID138042244
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(NC3(CO)CCCC3)nc21
InChIInChI=1S/C12H17N5O2/c1-17-9-8(6-13-17)10(19)15-11(14-9)16-12(7-18)4-2-3-5-12/h6,18H,2-5,7H2,1H3,(H2,14,15,16,19)
InChIKeyNOEAPMQZDZKTKF-UHFFFAOYSA-N
XLogP0.37
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 138042244) is 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(NC3(CO)CCCC3)nc21.
What is the InChIKey of 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NOEAPMQZDZKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-17-9-8(6-13-17)10(19)15-11(14-9)16-12(7-18)4-2-3-5-12/h6,18H,2-5,7H2,1H3,(H2,14,15,16,19).
What are the key properties of 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 263.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(hydroxymethyl)cyclopentyl]amino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 138042244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).