5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine

C10H11BrClN5 — CID 79076506

IUPAC5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1ccnc1)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C10H11BrClN5/c1-7(5-17-3-2-13-6-17)15-9-8(11)4-14-10(12)16-9/h2-4,6-7H,5H2,1H3,(H,14,15,16)
InChIKeyKHSYHESSCBHZAD-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine

5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 79076506) has the molecular formula C10H11BrClN5 and a molecular weight of 316.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID79076506
Molecular FormulaC10H11BrClN5
Molecular Weight316.59 g/mol
Exact Mass314.99
IUPAC Name5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCC(Cn1ccnc1)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C10H11BrClN5/c1-7(5-17-3-2-13-6-17)15-9-8(11)4-14-10(12)16-9/h2-4,6-7H,5H2,1H3,(H,14,15,16)
InChIKeyKHSYHESSCBHZAD-UHFFFAOYSA-N
XLogP2.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79727326
5-chloro-2-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80802503
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276
5-bromo-2-chloro-N-(4-methylhexan-2-yl)pyrimidin-4-amine
CID 79072826
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine (CID 79076506) is 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine is CC(Cn1ccnc1)Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is KHSYHESSCBHZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN5/c1-7(5-17-3-2-13-6-17)15-9-8(11)4-14-10(12)16-9/h2-4,6-7H,5H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 316.59 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79076506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).