5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride

C10H9BrCl2N4 — CID 87529176

IUPAC5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCl.Clc1ncc(Br)c(NCc2cccnc2)n1
InChIInChI=1S/C10H8BrClN4.ClH/c11-8-6-15-10(12)16-9(8)14-5-7-2-1-3-13-4-7;/h1-4,6H,5H2,(H,14,15,16);1H
InChIKeyDTYZNRZPALACSR-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.32
Rot. Bonds3

About 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride

5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 87529176) has the molecular formula C10H9BrCl2N4 and a molecular weight of 336.02 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
PubChem CID87529176
Molecular FormulaC10H9BrCl2N4
Molecular Weight336.02 g/mol
Exact Mass333.94
IUPAC Name5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCl.Clc1ncc(Br)c(NCc2cccnc2)n1
InChIInChI=1S/C10H8BrClN4.ClH/c11-8-6-15-10(12)16-9(8)14-5-7-2-1-3-13-4-7;/h1-4,6H,5H2,(H,14,15,16);1H
InChIKeyDTYZNRZPALACSR-UHFFFAOYSA-N
XLogP3.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897361
2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 114043542
3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79531942
5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 79073678
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
5-bromo-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80791970
5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 79076488
N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 79632289
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride (CID 87529176) is 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride is Cl.Clc1ncc(Br)c(NCc2cccnc2)n1.
What is the InChIKey of 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is DTYZNRZPALACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4.ClH/c11-8-6-15-10(12)16-9(8)14-5-7-2-1-3-13-4-7;/h1-4,6H,5H2,(H,14,15,16);1H.
What are the key properties of 5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 336.02 g/mol, XLogP of 3.32, 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-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 87529176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).