6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine

C13H16N6O — CID 154793413

IUPAC6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine
SMILESCOc1cc(N2CCCC2c2ccc(N)nn2)ncn1
InChIInChI=1S/C13H16N6O/c1-20-13-7-12(15-8-16-13)19-6-2-3-10(19)9-4-5-11(14)18-17-9/h4-5,7-8,10H,2-3,6H2,1H3,(H2,14,18)
InChIKeyUHCKINCDFZMKGW-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.20
Rot. Bonds3

About 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine

6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine (PubChem CID 154793413) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine
PubChem CID154793413
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine
SMILESCOc1cc(N2CCCC2c2ccc(N)nn2)ncn1
InChIInChI=1S/C13H16N6O/c1-20-13-7-12(15-8-16-13)19-6-2-3-10(19)9-4-5-11(14)18-17-9/h4-5,7-8,10H,2-3,6H2,1H3,(H2,14,18)
InChIKeyUHCKINCDFZMKGW-UHFFFAOYSA-N
XLogP1.20
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine?
The IUPAC name of 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine (CID 154793413) is 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine?
The canonical SMILES for 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine is COc1cc(N2CCCC2c2ccc(N)nn2)ncn1.
What is the InChIKey of 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine?
The InChIKey is UHCKINCDFZMKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-20-13-7-12(15-8-16-13)19-6-2-3-10(19)9-4-5-11(14)18-17-9/h4-5,7-8,10H,2-3,6H2,1H3,(H2,14,18).
What are the key properties of 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine?
6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine has a molecular weight of 272.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-2-yl]pyridazin-3-amine is sourced from PubChem (CID 154793413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).