5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

C11H10BrClN4 — CID 79073678

IUPAC5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2nc(Cl)ncc2Br)n1
InChIInChI=1S/C11H10BrClN4/c1-7-3-2-4-8(16-7)5-14-10-9(12)6-15-11(13)17-10/h2-4,6H,5H2,1H3,(H,14,15,17)
InChIKeyUXXMDDDYVYKYJW-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.21
Rot. Bonds3

About 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 79073678) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID79073678
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2nc(Cl)ncc2Br)n1
InChIInChI=1S/C11H10BrClN4/c1-7-3-2-4-8(16-7)5-14-10-9(12)6-15-11(13)17-10/h2-4,6H,5H2,1H3,(H,14,15,17)
InChIKeyUXXMDDDYVYKYJW-UHFFFAOYSA-N
XLogP3.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897361
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
4-bromo-2,6-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79266900
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
6-bromo-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63961124
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
5-bromo-2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79072897
3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
CID 143899539

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (CID 79073678) is 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is Cc1cccc(CNc2nc(Cl)ncc2Br)n1.
What is the InChIKey of 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is UXXMDDDYVYKYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-7-3-2-4-8(16-7)5-14-10-9(12)6-15-11(13)17-10/h2-4,6H,5H2,1H3,(H,14,15,17).
What are the key properties of 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 313.59 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79073678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).