2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile

C11H11N7 — CID 175621024

IUPAC2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile
SMILESCNc1ncc(C#N)c(NCc2cccnn2)n1
InChIInChI=1S/C11H11N7/c1-13-11-15-6-8(5-12)10(17-11)14-7-9-3-2-4-16-18-9/h2-4,6H,7H2,1H3,(H2,13,14,15,17)
InChIKeySWVWXFGNLFGILW-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.79
Rot. Bonds4

About 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile

2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile (PubChem CID 175621024) has the molecular formula C11H11N7 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile
PubChem CID175621024
Molecular FormulaC11H11N7
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile
SMILESCNc1ncc(C#N)c(NCc2cccnn2)n1
InChIInChI=1S/C11H11N7/c1-13-11-15-6-8(5-12)10(17-11)14-7-9-3-2-4-16-18-9/h2-4,6H,7H2,1H3,(H2,13,14,15,17)
InChIKeySWVWXFGNLFGILW-UHFFFAOYSA-N
XLogP0.79
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146
2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106898231
2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
CID 106894789
2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 114045249
2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile
CID 106894766
5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777970
4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 106896468
3-bromo-4-methyl-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106896632
2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile
CID 106832844
3-nitro-N-(pyridazin-3-ylmethyl)pyridin-2-amine
CID 106832672
6-N,5-dimethyl-2-propan-2-yl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898131
2-N,5-dimethyl-4-N-(pyrimidin-4-ylmethyl)pyrimidine-2,4-diamine
CID 114112685

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile (CID 175621024) is 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile is CNc1ncc(C#N)c(NCc2cccnn2)n1.
What is the InChIKey of 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile?
The InChIKey is SWVWXFGNLFGILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7/c1-13-11-15-6-8(5-12)10(17-11)14-7-9-3-2-4-16-18-9/h2-4,6H,7H2,1H3,(H2,13,14,15,17).
What are the key properties of 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile?
2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile has a molecular weight of 241.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(pyridazin-3-ylmethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 175621024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).