1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one

C11H17N5O — CID 63277513

IUPAC1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNC(C)CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C11H17N5O/c1-8(12-2)4-5-16-7-13-10-9(11(16)17)6-14-15(10)3/h6-8,12H,4-5H2,1-3H3
InChIKeyOJWAGZJZPCSFAQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.13
Rot. Bonds4

About 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 63277513) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID63277513
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCNC(C)CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C11H17N5O/c1-8(12-2)4-5-16-7-13-10-9(11(16)17)6-14-15(10)3/h6-8,12H,4-5H2,1-3H3
InChIKeyOJWAGZJZPCSFAQ-UHFFFAOYSA-N
XLogP0.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methylheptan-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24629017
1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277018
1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277108
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
5-[2-(benzylamino)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 126803622
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
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
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47025846
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
CID 51202548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 63277513) is 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one is CNC(C)CCn1cnc2c(cnn2C)c1=O.
What is the InChIKey of 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OJWAGZJZPCSFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(12-2)4-5-16-7-13-10-9(11(16)17)6-14-15(10)3/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 63277513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).