2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine

C18H19N7 — CID 175927659

IUPAC2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine
SMILESc1cnnc(-c2ccc(Nc3ccnc(N4CCNCC4)n3)cc2)c1
InChIInChI=1S/C18H19N7/c1-2-16(24-21-8-1)14-3-5-15(6-4-14)22-17-7-9-20-18(23-17)25-12-10-19-11-13-25/h1-9,19H,10-13H2,(H,20,22,23)
InChIKeyZKZJXTGOKDYYGJ-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.09
Rot. Bonds4

About 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine

2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine (PubChem CID 175927659) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine
PubChem CID175927659
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine
SMILESc1cnnc(-c2ccc(Nc3ccnc(N4CCNCC4)n3)cc2)c1
InChIInChI=1S/C18H19N7/c1-2-16(24-21-8-1)14-3-5-15(6-4-14)22-17-7-9-20-18(23-17)25-12-10-19-11-13-25/h1-9,19H,10-13H2,(H,20,22,23)
InChIKeyZKZJXTGOKDYYGJ-UHFFFAOYSA-N
XLogP2.09
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]-2-piperazin-1-ylpyrimidin-4-amine
CID 142537405
5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one
CID 148878335
4-pentyl-N-[4-[(2-piperazin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 162659384
N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 112898411
N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine
CID 122624208
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
[4-[4-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134796845

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine (CID 175927659) is 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine is c1cnnc(-c2ccc(Nc3ccnc(N4CCNCC4)n3)cc2)c1.
What is the InChIKey of 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine?
The InChIKey is ZKZJXTGOKDYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-2-16(24-21-8-1)14-3-5-15(6-4-14)22-17-7-9-20-18(23-17)25-12-10-19-11-13-25/h1-9,19H,10-13H2,(H,20,22,23).
What are the key properties of 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine?
2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine has a molecular weight of 333.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-(4-pyridazin-3-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 175927659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).