1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide

C16H17BrN4O — CID 36658872

IUPAC1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C16H17BrN4O/c1-10-9-11(2)19-15(18-10)21-20-14(22)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyCSXLTINXDHBGMI-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide

1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide (PubChem CID 36658872) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide
PubChem CID36658872
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C16H17BrN4O/c1-10-9-11(2)19-15(18-10)21-20-14(22)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyCSXLTINXDHBGMI-UHFFFAOYSA-N
XLogP3.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 36600011
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CID 32894243
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56817614
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
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CID 31778353
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide
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N'-[1-(4-bromophenyl)cyclopropanecarbonyl]quinoline-2-carbohydrazide
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1-(4-bromophenyl)-N-prop-2-ynylcyclopropane-1-carboxamide
CID 36526398
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
1-amino-N'-(4,6-dimethylpyrimidin-2-yl)-2-phenylcyclopropane-1-carbohydrazide
CID 138014857
1-(4-bromophenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]cyclopropane-1-carboxamide
CID 86950361
4-bromo-N'-(1-phenylcyclopropanecarbonyl)benzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide?
The IUPAC name of 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide (CID 36658872) is 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide is Cc1cc(C)nc(NNC(=O)C2(c3ccc(Br)cc3)CC2)n1.
What is the InChIKey of 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide?
The InChIKey is CSXLTINXDHBGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c1-10-9-11(2)19-15(18-10)21-20-14(22)16(7-8-16)12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide?
1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide has a molecular weight of 361.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 36658872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).