5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine

C11H10BrClN4 — CID 79075980

IUPAC5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Br)c1ccccn1
InChIInChI=1S/C11H10BrClN4/c1-7(9-4-2-3-5-14-9)16-10-8(12)6-15-11(13)17-10/h2-7H,1H3,(H,15,16,17)
InChIKeyOGIJDYHQGFLPKO-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.46
Rot. Bonds3

About 5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine (PubChem CID 79075980) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
PubChem CID79075980
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Br)c1ccccn1
InChIInChI=1S/C11H10BrClN4/c1-7(9-4-2-3-5-14-9)16-10-8(12)6-15-11(13)17-10/h2-7H,1H3,(H,15,16,17)
InChIKeyOGIJDYHQGFLPKO-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80781022
3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 79531784
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 130908908
5-bromo-2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 79072973
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352563
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
3-bromo-N-(1-pyridin-2-ylethyl)aniline
CID 43194583
3,5-dichloro-2-N-propyl-6-N-(1-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102756051
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine (CID 79075980) is 5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine is CC(Nc1nc(Cl)ncc1Br)c1ccccn1.
What is the InChIKey of 5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
The InChIKey is OGIJDYHQGFLPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-7(9-4-2-3-5-14-9)16-10-8(12)6-15-11(13)17-10/h2-7H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine has a molecular weight of 313.59 g/mol, XLogP of 3.46, 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-(1-pyridin-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 79075980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).