4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide

C12H12BrN5 — CID 66340530

IUPAC4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2ncncc2Br)cc1
InChIInChI=1S/C12H12BrN5/c1-18(12-10(13)6-16-7-17-12)9-4-2-8(3-5-9)11(14)15/h2-7H,1H3,(H3,14,15)
InChIKeyAKDDMSVRXFOUAX-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.29
Rot. Bonds3

About 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide

4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide (PubChem CID 66340530) has the molecular formula C12H12BrN5 and a molecular weight of 306.17 g/mol. Its IUPAC name is 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide
PubChem CID66340530
Molecular FormulaC12H12BrN5
Molecular Weight306.17 g/mol
Exact Mass305.03
IUPAC Name4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2ncncc2Br)cc1
InChIInChI=1S/C12H12BrN5/c1-18(12-10(13)6-16-7-17-12)9-4-2-8(3-5-9)11(14)15/h2-7H,1H3,(H3,14,15)
InChIKeyAKDDMSVRXFOUAX-UHFFFAOYSA-N
XLogP2.29
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 66319063
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 79718865
4-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide
CID 62970161
4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide
CID 62969809
4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide
CID 113482500
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 136971709
4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide
CID 104797731
3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 82799311
4-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]benzenecarboximidamide
CID 65267617
5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66317935
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
5-bromo-N-ethoxy-N-methylpyrimidin-4-amine
CID 131159567

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide?
The IUPAC name of 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide (CID 66340530) is 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)c2ncncc2Br)cc1.
What is the InChIKey of 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide?
The InChIKey is AKDDMSVRXFOUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5/c1-18(12-10(13)6-16-7-17-12)9-4-2-8(3-5-9)11(14)15/h2-7H,1H3,(H3,14,15).
What are the key properties of 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide?
4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide has a molecular weight of 306.17 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide is sourced from PubChem (CID 66340530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).