[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone

C19H19N7O2 — CID 137291354

IUPAC[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2ccncn2)CC1
InChIInChI=1S/C19H19N7O2/c20-18-16(11-15(23-24-18)13-3-1-2-4-17(13)27)25-7-9-26(10-8-25)19(28)14-5-6-21-12-22-14/h1-6,11-12,27H,7-10H2,(H2,20,24)
InChIKeyQAPQNPOQTQCYFE-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.18
Rot. Bonds3

About [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone

[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 137291354) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID137291354
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2ccncn2)CC1
InChIInChI=1S/C19H19N7O2/c20-18-16(11-15(23-24-18)13-3-1-2-4-17(13)27)25-7-9-26(10-8-25)19(28)14-5-6-21-12-22-14/h1-6,11-12,27H,7-10H2,(H2,20,24)
InChIKeyQAPQNPOQTQCYFE-UHFFFAOYSA-N
XLogP1.18
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US10308614, Example 75
CID 137029374
[5-(4-Hydroxyphenyl)-1-phenylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 137647975
2-(6-Amino-5-(4-(pyridin-
CID 137029368
US10308614, Example 74
CID 137029377
US10308614, Example 43
CID 137029407
US10308614, Example 197
CID 137029445
US10308614, Example 93
CID 137029458
2-(6-Amino-5-(5-(pyridin-
CID 137029472
US10308614, Example 125
CID 137029481
US10308614, Example 135
CID 137029524
US10308614, Example 71
CID 137029531
US10308614, Example 69
CID 137029534

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone (CID 137291354) is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone is Nc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2ccncn2)CC1.
What is the InChIKey of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is QAPQNPOQTQCYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c20-18-16(11-15(23-24-18)13-3-1-2-4-17(13)27)25-7-9-26(10-8-25)19(28)14-5-6-21-12-22-14/h1-6,11-12,27H,7-10H2,(H2,20,24).
What are the key properties of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone?
[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 377.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 137291354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).