2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone

C15H19N7O — CID 165015122

IUPAC2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(N2CCN(C(=O)Cc3cnc(N)nc3)CC2)nn1
InChIInChI=1S/C15H19N7O/c1-11-2-3-13(20-19-11)21-4-6-22(7-5-21)14(23)8-12-9-17-15(16)18-10-12/h2-3,9-10H,4-8H2,1H3,(H2,16,17,18)
InChIKeyDOVHFBREZAXBJR-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.05
Rot. Bonds3

About 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone

2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 165015122) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID165015122
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccc(N2CCN(C(=O)Cc3cnc(N)nc3)CC2)nn1
InChIInChI=1S/C15H19N7O/c1-11-2-3-13(20-19-11)21-4-6-22(7-5-21)14(23)8-12-9-17-15(16)18-10-12/h2-3,9-10H,4-8H2,1H3,(H2,16,17,18)
InChIKeyDOVHFBREZAXBJR-UHFFFAOYSA-N
XLogP0.05
TPSA101.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(diethylamino)pyrimidin-5-yl]-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 165015130
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 158497459
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone
CID 157200827
3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 110727422
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
6-[4-[2-[2-(methylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161855
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71961267
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
6-[4-[2-[2-(diethylamino)pyrimidin-5-yl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 155161856
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 165015122) is 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone is Cc1ccc(N2CCN(C(=O)Cc3cnc(N)nc3)CC2)nn1.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is DOVHFBREZAXBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-11-2-3-13(20-19-11)21-4-6-22(7-5-21)14(23)8-12-9-17-15(16)18-10-12/h2-3,9-10H,4-8H2,1H3,(H2,16,17,18).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 313.37 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 165015122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).