6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

C9H8BrN5 — CID 106897335

IUPAC6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESBrc1cc(NCc2cccnn2)ncn1
InChIInChI=1S/C9H8BrN5/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-14-15-7/h1-4,6H,5H2,(H,11,12,13)
InChIKeyJPBICKXVZPRXDS-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.64
Rot. Bonds3

About 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine

6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106897335) has the molecular formula C9H8BrN5 and a molecular weight of 266.10 g/mol. Its IUPAC name is 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
PubChem CID106897335
Molecular FormulaC9H8BrN5
Molecular Weight266.10 g/mol
Exact Mass265.00
IUPAC Name6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
SMILESBrc1cc(NCc2cccnn2)ncn1
InChIInChI=1S/C9H8BrN5/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-14-15-7/h1-4,6H,5H2,(H,11,12,13)
InChIKeyJPBICKXVZPRXDS-UHFFFAOYSA-N
XLogP1.64
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine
CID 106894815
5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212
3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
CID 106894789
6-N-ethyl-5-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898193
5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897361
N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106832629
2-methyl-4-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894769
6-chloro-5-methoxy-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897364
2-bromo-N-(pyridazin-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 106896638
4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860644
2-hydrazinyl-6-methyl-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106898307

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine (CID 106897335) is 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine is Brc1cc(NCc2cccnn2)ncn1.
What is the InChIKey of 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is JPBICKXVZPRXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-14-15-7/h1-4,6H,5H2,(H,11,12,13).
What are the key properties of 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine?
6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 266.10 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106897335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).