5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

C18H20N8 — CID 166611752

IUPAC5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cccnn4)c3)CC2)c(N)n1
InChIInChI=1S/C18H20N8/c19-17-16(12-21-18(20)23-17)26-9-7-25(8-10-26)14-4-1-3-13(11-14)15-5-2-6-22-24-15/h1-6,11-12H,7-10H2,(H4,19,20,21,23)
InChIKeyOARVXBUGNHJOSK-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.42
Rot. Bonds3

About 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 166611752) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID166611752
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cccnn4)c3)CC2)c(N)n1
InChIInChI=1S/C18H20N8/c19-17-16(12-21-18(20)23-17)26-9-7-25(8-10-26)14-4-1-3-13(11-14)15-5-2-6-22-24-15/h1-6,11-12H,7-10H2,(H4,19,20,21,23)
InChIKeyOARVXBUGNHJOSK-UHFFFAOYSA-N
XLogP1.42
TPSA110.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]piperazin-1-yl]pyrimidine-2,4-diamine
CID 155568251
5-[4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 155569475
5-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 155529844
5-[4-(6-chloro-3-pyridinyl)piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 159405923
5-[4-(3,5-dibromophenyl)piperazin-1-yl]pyrimidine-2,4-diamine;5-[4-(3,5-dimethylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine;methane;methylboronic acid
CID 162041679
2-(3-pyrrolidin-1-ylphenyl)quinoxaline
CID 168513067
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
2-(3-pyrrolidin-1-ylphenyl)pyrimidine
CID 168513243
3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155
1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
CID 175938497
4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
CID 176859206

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 166611752) is 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is Nc1ncc(N2CCN(c3cccc(-c4cccnn4)c3)CC2)c(N)n1.
What is the InChIKey of 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is OARVXBUGNHJOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c19-17-16(12-21-18(20)23-17)26-9-7-25(8-10-26)14-4-1-3-13(11-14)15-5-2-6-22-24-15/h1-6,11-12H,7-10H2,(H4,19,20,21,23).
What are the key properties of 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 348.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-pyridazin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 166611752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).