5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C11H15N5O — CID 63912676

IUPAC5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC(N)C3CC3)cnc21
InChIInChI=1S/C11H15N5O/c1-15-10-8(4-14-15)11(17)16(6-13-10)5-9(12)7-2-3-7/h4,6-7,9H,2-3,5,12H2,1H3
InChIKeyFKGUFDUNQRUVAM-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.13
Rot. Bonds3

About 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 63912676) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID63912676
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC(N)C3CC3)cnc21
InChIInChI=1S/C11H15N5O/c1-15-10-8(4-14-15)11(17)16(6-13-10)5-9(12)7-2-3-7/h4,6-7,9H,2-3,5,12H2,1H3
InChIKeyFKGUFDUNQRUVAM-UHFFFAOYSA-N
XLogP-0.13
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277513
5-[2-(ethylamino)-3-methoxypropyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 107506237
1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 63276978
1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277108
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
1-methyl-5-[2-[2-(methylamino)cyclopentyl]ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 79572765
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 43423148
5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63315808

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 63912676) is 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(CC(N)C3CC3)cnc21.
What is the InChIKey of 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FKGUFDUNQRUVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-15-10-8(4-14-15)11(17)16(6-13-10)5-9(12)7-2-3-7/h4,6-7,9H,2-3,5,12H2,1H3.
What are the key properties of 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 233.27 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-2-cyclopropylethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 63912676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).