2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine

C22H28N6 — CID 135298526

IUPAC2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine
SMILESCC(CCCC(CCC(C)c1cncnc1)c1ncccn1)c1ccnnc1
InChIInChI=1S/C22H28N6/c1-17(20-9-12-27-28-15-20)5-3-6-19(22-25-10-4-11-26-22)8-7-18(2)21-13-23-16-24-14-21/h4,9-19H,3,5-8H2,1-2H3
InChIKeyYTJDJVYTYLPAMD-UHFFFAOYSA-N
MW376.51 g/mol
LogP4.70
Rot. Bonds10

About 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine

2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine (PubChem CID 135298526) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine.

Molecular Properties

Compound Name2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine
PubChem CID135298526
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine
SMILESCC(CCCC(CCC(C)c1cncnc1)c1ncccn1)c1ccnnc1
InChIInChI=1S/C22H28N6/c1-17(20-9-12-27-28-15-20)5-3-6-19(22-25-10-4-11-26-22)8-7-18(2)21-13-23-16-24-14-21/h4,9-19H,3,5-8H2,1-2H3
InChIKeyYTJDJVYTYLPAMD-UHFFFAOYSA-N
XLogP4.70
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-propan-2-yl-3-(3-pyridazin-4-ylbutyl)pyridazine
CID 134546382
2-heptan-4-ylpyridine;4-hexan-3-ylpyridazine
CID 177190805
2-(8-phenyl-5-pyridin-3-ylnonan-2-yl)pyridine
CID 170738038
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);5-propan-2-ylpyrimidine
CID 159400797
(5-methyl-1-pyridazin-4-ylhexyl)hydrazine
CID 105331323
ethane;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);tris(3-propan-2-ylpyridine);bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159364646
(1R)-1-pyridazin-4-ylethanamine
CID 86332876
2-propan-2-yl-4-[5-(5-propan-2-yl-3-pyridinyl)hexan-2-yl]pyridine
CID 155097626
2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine
CID 155076697
3-pyridin-3-ylbutan-1-ol
CID 23506282
N,N-dimethyl-2-[8-pyrimidin-2-yl-5-(1,3,5-triazin-2-yl)nonan-2-yl]oxyethanamine
CID 139307614
2-(6-phenyloctan-2-yl)pyridine
CID 122575770

Frequently Asked Questions

What is the IUPAC name of 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine?
The IUPAC name of 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine (CID 135298526) is 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine.
What is the SMILES notation for 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine?
The canonical SMILES for 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine is CC(CCCC(CCC(C)c1cncnc1)c1ncccn1)c1ccnnc1.
What is the InChIKey of 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine?
The InChIKey is YTJDJVYTYLPAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-17(20-9-12-27-28-15-20)5-3-6-19(22-25-10-4-11-26-22)8-7-18(2)21-13-23-16-24-14-21/h4,9-19H,3,5-8H2,1-2H3.
What are the key properties of 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine?
2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine has a molecular weight of 376.51 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-pyridazin-4-yl-2-pyrimidin-5-yldecan-5-yl)pyrimidine is sourced from PubChem (CID 135298526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).