5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

C9H7BrClN5 — CID 106897361

IUPAC5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(NCc2cccnn2)n1
InChIInChI=1S/C9H7BrClN5/c10-7-5-13-9(11)15-8(7)12-4-6-2-1-3-14-16-6/h1-3,5H,4H2,(H,12,13,15)
InChIKeyKDYGOUQSWDNZTC-UHFFFAOYSA-N
MW300.55 g/mol
LogP2.29
Rot. Bonds3

About 5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106897361) has the molecular formula C9H7BrClN5 and a molecular weight of 300.55 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
PubChem CID106897361
Molecular FormulaC9H7BrClN5
Molecular Weight300.55 g/mol
Exact Mass298.96
IUPAC Name5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESClc1ncc(Br)c(NCc2cccnn2)n1
InChIInChI=1S/C9H7BrClN5/c10-7-5-13-9(11)15-8(7)12-4-6-2-1-3-14-16-6/h1-3,5H,4H2,(H,12,13,15)
InChIKeyKDYGOUQSWDNZTC-UHFFFAOYSA-N
XLogP2.29
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.55
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 79073678
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine
CID 106894815
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
5-bromo-2-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 106303918
3,5-dichloro-2-N-propyl-6-N-(pyridazin-3-ylmethyl)pyridine-2,6-diamine
CID 106898227
5-bromo-2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79072897
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897364
2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
CID 106894789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (CID 106897361) is 5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine is Clc1ncc(Br)c(NCc2cccnn2)n1.
What is the InChIKey of 5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is KDYGOUQSWDNZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN5/c10-7-5-13-9(11)15-8(7)12-4-6-2-1-3-14-16-6/h1-3,5H,4H2,(H,12,13,15).
What are the key properties of 5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 300.55 g/mol, XLogP of 2.29, 3 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-(pyridazin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106897361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).