1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine

C18H25N7 — CID 56780941

IUPAC1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine
SMILESc1cnnc(N2CCCC2CNCc2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C18H25N7/c1-2-9-24(8-1)18-20-12-15(13-21-18)11-19-14-16-5-4-10-25(16)17-6-3-7-22-23-17/h3,6-7,12-13,16,19H,1-2,4-5,8-11,14H2
InChIKeyOIXQCBAMAITDQL-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.63
Rot. Bonds6

About 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine

1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine (PubChem CID 56780941) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine
PubChem CID56780941
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine
SMILESc1cnnc(N2CCCC2CNCc2cnc(N3CCCC3)nc2)c1
InChIInChI=1S/C18H25N7/c1-2-9-24(8-1)18-20-12-15(13-21-18)11-19-14-16-5-4-10-25(16)17-6-3-7-22-23-17/h3,6-7,12-13,16,19H,1-2,4-5,8-11,14H2
InChIKeyOIXQCBAMAITDQL-UHFFFAOYSA-N
XLogP1.63
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine?
The IUPAC name of 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine (CID 56780941) is 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine is c1cnnc(N2CCCC2CNCc2cnc(N3CCCC3)nc2)c1.
What is the InChIKey of 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine?
The InChIKey is OIXQCBAMAITDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-2-9-24(8-1)18-20-12-15(13-21-18)11-19-14-16-5-4-10-25(16)17-6-3-7-22-23-17/h3,6-7,12-13,16,19H,1-2,4-5,8-11,14H2.
What are the key properties of 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine?
1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine has a molecular weight of 339.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]methanamine is sourced from PubChem (CID 56780941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).