1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one

C14H21N5O — CID 79572765

IUPAC1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNC1CCCC1CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C14H21N5O/c1-15-12-5-3-4-10(12)6-7-19-9-16-13-11(14(19)20)8-17-18(13)2/h8-10,12,15H,3-7H2,1-2H3
InChIKeyVKKRWWKJBMVEAQ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.91
Rot. Bonds4

About 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 79572765) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID79572765
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNC1CCCC1CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C14H21N5O/c1-15-12-5-3-4-10(12)6-7-19-9-16-13-11(14(19)20)8-17-18(13)2/h8-10,12,15H,3-7H2,1-2H3
InChIKeyVKKRWWKJBMVEAQ-UHFFFAOYSA-N
XLogP0.91
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 102735158
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277513
5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63912676
1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 63276978
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
5-[2-cyclopropyl-2-(ethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63912458
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
1-methyl-5-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 104747686
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55088277
5-[2-(butylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62565634
1-methyl-5-[2-(oxolan-3-ylmethylamino)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 62567717

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 79572765) is 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one is CNC1CCCC1CCn1cnc2c(cnn2C)c1=O.
What is the InChIKey of 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VKKRWWKJBMVEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-15-12-5-3-4-10(12)6-7-19-9-16-13-11(14(19)20)8-17-18(13)2/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 275.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 79572765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).