N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine

C17H24N6 — CID 133460399

IUPACN-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine
SMILESCCc1cc(N2CCC(N(C)c3cccnn3)CC2)nc(C)n1
InChIInChI=1S/C17H24N6/c1-4-14-12-17(20-13(2)19-14)23-10-7-15(8-11-23)22(3)16-6-5-9-18-21-16/h5-6,9,12,15H,4,7-8,10-11H2,1-3H3
InChIKeyKFFHHKBOVFRNFQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.24
Rot. Bonds4

About N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine

N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine (PubChem CID 133460399) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine
PubChem CID133460399
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC NameN-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine
SMILESCCc1cc(N2CCC(N(C)c3cccnn3)CC2)nc(C)n1
InChIInChI=1S/C17H24N6/c1-4-14-12-17(20-13(2)19-14)23-10-7-15(8-11-23)22(3)16-6-5-9-18-21-16/h5-6,9,12,15H,4,7-8,10-11H2,1-3H3
InChIKeyKFFHHKBOVFRNFQ-UHFFFAOYSA-N
XLogP2.24
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine?
The IUPAC name of N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine (CID 133460399) is N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine?
The canonical SMILES for N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine is CCc1cc(N2CCC(N(C)c3cccnn3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine?
The InChIKey is KFFHHKBOVFRNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-4-14-12-17(20-13(2)19-14)23-10-7-15(8-11-23)22(3)16-6-5-9-18-21-16/h5-6,9,12,15H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine?
N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine has a molecular weight of 312.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine is sourced from PubChem (CID 133460399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).