6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine

C14H18N6 — CID 175798659

IUPAC6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine
SMILESCN1CCC(c2ccc(Nc3ncccn3)nn2)CC1
InChIInChI=1S/C14H18N6/c1-20-9-5-11(6-10-20)12-3-4-13(19-18-12)17-14-15-7-2-8-16-14/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,16,17,19)
InChIKeyUEHMPWXTHQCQJN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.82
Rot. Bonds3

About 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine

6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine (PubChem CID 175798659) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine
PubChem CID175798659
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine
SMILESCN1CCC(c2ccc(Nc3ncccn3)nn2)CC1
InChIInChI=1S/C14H18N6/c1-20-9-5-11(6-10-20)12-3-4-13(19-18-12)17-14-15-7-2-8-16-14/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,16,17,19)
InChIKeyUEHMPWXTHQCQJN-UHFFFAOYSA-N
XLogP1.82
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine (CID 175798659) is 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine is CN1CCC(c2ccc(Nc3ncccn3)nn2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine?
The InChIKey is UEHMPWXTHQCQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-20-9-5-11(6-10-20)12-3-4-13(19-18-12)17-14-15-7-2-8-16-14/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,15,16,17,19).
What are the key properties of 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine?
6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine has a molecular weight of 270.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine is sourced from PubChem (CID 175798659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).