2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine

C18H20N6 — CID 163684691

IUPAC2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine
SMILESCc1ccc(CCc2ncc(CCc3cnc(C)nc3)cn2)nn1
InChIInChI=1S/C18H20N6/c1-13-3-6-17(24-23-13)7-8-18-21-11-16(12-22-18)5-4-15-9-19-14(2)20-10-15/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyJNUROTIQVUVYKH-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.24
Rot. Bonds6

About 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine

2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine (PubChem CID 163684691) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine
PubChem CID163684691
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine
SMILESCc1ccc(CCc2ncc(CCc3cnc(C)nc3)cn2)nn1
InChIInChI=1S/C18H20N6/c1-13-3-6-17(24-23-13)7-8-18-21-11-16(12-22-18)5-4-15-9-19-14(2)20-10-15/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyJNUROTIQVUVYKH-UHFFFAOYSA-N
XLogP2.24
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine?
The IUPAC name of 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine (CID 163684691) is 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine.
What is the SMILES notation for 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine?
The canonical SMILES for 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine is Cc1ccc(CCc2ncc(CCc3cnc(C)nc3)cn2)nn1.
What is the InChIKey of 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine?
The InChIKey is JNUROTIQVUVYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-3-6-17(24-23-13)7-8-18-21-11-16(12-22-18)5-4-15-9-19-14(2)20-10-15/h3,6,9-12H,4-5,7-8H2,1-2H3.
What are the key properties of 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine?
2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine has a molecular weight of 320.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methylpyridazin-3-yl)ethyl]-5-[2-(2-methylpyrimidin-5-yl)ethyl]pyrimidine is sourced from PubChem (CID 163684691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).