[6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide

C14H14BrN5 — CID 115266748

IUPAC[6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide
SMILESCc1nc(NC#N)cc(NCCc2ccccc2Br)n1
InChIInChI=1S/C14H14BrN5/c1-10-19-13(8-14(20-10)18-9-16)17-7-6-11-4-2-3-5-12(11)15/h2-5,8H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyNAWBRILAMUXZMB-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.10
Rot. Bonds5

About [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide

[6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide (PubChem CID 115266748) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide.

Molecular Properties

Compound Name[6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide
PubChem CID115266748
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name[6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide
SMILESCc1nc(NC#N)cc(NCCc2ccccc2Br)n1
InChIInChI=1S/C14H14BrN5/c1-10-19-13(8-14(20-10)18-9-16)17-7-6-11-4-2-3-5-12(11)15/h2-5,8H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyNAWBRILAMUXZMB-UHFFFAOYSA-N
XLogP3.10
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
[6-(5-bromo-2-methylanilino)-2-methylpyrimidin-4-yl]cyanamide
CID 115266622
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
6-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143395
[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266696
4-N-(2-bromophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875803
6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870537
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
6-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112870386
2-[[2-methyl-6-[2-(1H-pyrrol-3-yl)ethylamino]pyrimidin-4-yl]amino]acetonitrile
CID 115266838

Frequently Asked Questions

What is the IUPAC name of [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide?
The IUPAC name of [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide (CID 115266748) is [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide.
What is the SMILES notation for [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide?
The canonical SMILES for [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide is Cc1nc(NC#N)cc(NCCc2ccccc2Br)n1.
What is the InChIKey of [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide?
The InChIKey is NAWBRILAMUXZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c1-10-19-13(8-14(20-10)18-9-16)17-7-6-11-4-2-3-5-12(11)15/h2-5,8H,6-7H2,1H3,(H2,17,18,19,20).
What are the key properties of [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide?
[6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide has a molecular weight of 332.21 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2-bromophenyl)ethylamino]-2-methylpyrimidin-4-yl]cyanamide is sourced from PubChem (CID 115266748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).