2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine

C9H10N6 — CID 106894789

IUPAC2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCc2cccnn2)nc1
InChIInChI=1S/C9H10N6/c10-7-4-11-9(12-5-7)13-6-8-2-1-3-14-15-8/h1-5H,6,10H2,(H,11,12,13)
InChIKeyZQTLBVVRIBUMQY-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.46
Rot. Bonds3

About 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine

2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine (PubChem CID 106894789) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
PubChem CID106894789
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCc2cccnn2)nc1
InChIInChI=1S/C9H10N6/c10-7-4-11-9(12-5-7)13-6-8-2-1-3-14-15-8/h1-5H,6,10H2,(H,11,12,13)
InChIKeyZQTLBVVRIBUMQY-UHFFFAOYSA-N
XLogP0.46
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(pyridin-2-ylmethyl)pyrimidine-2,5-diamine
CID 61146429
5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine
CID 106894815
2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894891
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146
4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 106896468
2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
CID 106894773
2-methyl-4-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894769
2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 114045249
2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile
CID 175621024
5-bromo-2-chloro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897361
2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile
CID 106894766
6-bromo-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 106897335

Frequently Asked Questions

What is the IUPAC name of 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine (CID 106894789) is 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine is Nc1cnc(NCc2cccnn2)nc1.
What is the InChIKey of 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine?
The InChIKey is ZQTLBVVRIBUMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c10-7-4-11-9(12-5-7)13-6-8-2-1-3-14-15-8/h1-5H,6,10H2,(H,11,12,13).
What are the key properties of 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine?
2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine has a molecular weight of 202.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 106894789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).