2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one

C13H14N6O — CID 56917426

IUPAC2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cc2ncn(CCNc3cccnc3)c(=O)c2n1
InChIInChI=1S/C13H14N6O/c1-18-8-11-12(17-18)13(20)19(9-16-11)6-5-15-10-3-2-4-14-7-10/h2-4,7-9,15H,5-6H2,1H3
InChIKeyLSJPAZXEAQAHBX-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.64
Rot. Bonds4

About 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one

2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 56917426) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID56917426
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one
SMILESCn1cc2ncn(CCNc3cccnc3)c(=O)c2n1
InChIInChI=1S/C13H14N6O/c1-18-8-11-12(17-18)13(20)19(9-16-11)6-5-15-10-3-2-4-14-7-10/h2-4,7-9,15H,5-6H2,1H3
InChIKeyLSJPAZXEAQAHBX-UHFFFAOYSA-N
XLogP0.64
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313
N-[(1,4-dimethylpyrazol-3-yl)methyl]pyridin-3-amine
CID 136558666
6-[(2R)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one
CID 95728003
3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one
CID 134808694
N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine
CID 50963605
3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 62562895
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
CID 62565856
1-(2-anilinoethyl)-5-methylpyrimidin-2-one
CID 63207193
1-methyl-N-(2-pyridin-3-ylethyl)pyrazol-4-amine
CID 79771016
6-oxo-1-propyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 165478239
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622
methyl 2-[5-methyl-3-oxo-2-[2-(pyridin-3-ylamino)ethyl]pyridazin-4-yl]acetate
CID 142690405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one (CID 56917426) is 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one is Cn1cc2ncn(CCNc3cccnc3)c(=O)c2n1.
What is the InChIKey of 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is LSJPAZXEAQAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-18-8-11-12(17-18)13(20)19(9-16-11)6-5-15-10-3-2-4-14-7-10/h2-4,7-9,15H,5-6H2,1H3.
What are the key properties of 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one?
2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 270.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 56917426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).