1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C13H19N5O2 — CID 137002480

IUPAC1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CNCCO)nc2c1cnn2C1CCCC1
InChIInChI=1S/C13H19N5O2/c19-6-5-14-8-11-16-12-10(13(20)17-11)7-15-18(12)9-3-1-2-4-9/h7,9,14,19H,1-6,8H2,(H,16,17,20)
InChIKeyWDSSCGFBHOGYAO-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.32
Rot. Bonds5

About 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137002480) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137002480
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CNCCO)nc2c1cnn2C1CCCC1
InChIInChI=1S/C13H19N5O2/c19-6-5-14-8-11-16-12-10(13(20)17-11)7-15-18(12)9-3-1-2-4-9/h7,9,14,19H,1-6,8H2,(H,16,17,20)
InChIKeyWDSSCGFBHOGYAO-UHFFFAOYSA-N
XLogP0.32
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-6-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136627768
6-(cyclopropylmethyl)-1-(thian-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908601
1-(oxan-4-yl)-6-(oxetan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137255798
[1-(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-2,2-dimethylpropyl]-(2-hydroxyethyl)carbamic acid
CID 137002493
6-[(3,5-dichlorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908596
1-(oxan-4-yl)-6-(3,3,3-trifluoropropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908588
6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;2,2,2-trifluoroacetic acid
CID 143871185
6-[[(2R)-1-(4-chloropiperidin-1-yl)-1-oxopropan-2-yl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166625891
1-(4-fluorocyclohexyl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135862984
6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908672
6-[(2-bromophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908546
1-cyclopentyl-6-[[3-(4-methoxyphenyl)-2-oxopropyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160971321

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137002480) is 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(CNCCO)nc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WDSSCGFBHOGYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-6-5-14-8-11-16-12-10(13(20)17-11)7-15-18(12)9-3-1-2-4-9/h7,9,14,19H,1-6,8H2,(H,16,17,20).
What are the key properties of 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 277.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(2-hydroxyethylamino)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137002480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).