4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid

C11H11N5O2 — CID 106896468

IUPAC4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NCc2cccnn2)ncc1C(=O)O
InChIInChI=1S/C11H11N5O2/c1-7-9(10(17)18)6-13-11(15-7)12-5-8-3-2-4-14-16-8/h2-4,6H,5H2,1H3,(H,17,18)(H,12,13,15)
InChIKeyMNGFZYUMAKIKOE-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.89
Rot. Bonds4

About 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid

4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid (PubChem CID 106896468) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid
PubChem CID106896468
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NCc2cccnn2)ncc1C(=O)O
InChIInChI=1S/C11H11N5O2/c1-7-9(10(17)18)6-13-11(15-7)12-5-8-3-2-4-14-16-8/h2-4,6H,5H2,1H3,(H,17,18)(H,12,13,15)
InChIKeyMNGFZYUMAKIKOE-UHFFFAOYSA-N
XLogP0.89
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[(6-methyl-2-pyridinyl)methylamino]pyrimidine-5-carboxylic acid
CID 83181382
2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181251
4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 83181391
4-methyl-2-(pyridin-3-ylamino)pyrimidine-5-carboxylic acid
CID 83181577
4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 106897797
2-(pyridazin-3-ylmethylamino)quinoline-5-carboxylic acid
CID 106896431
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
3-(pyridazin-3-ylmethylamino)pyrazine-2-carboxylic acid
CID 106897804
2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
CID 106894789
2-[(4-fluoro-3,5-dimethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83180580
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid (CID 106896468) is 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid is Cc1nc(NCc2cccnn2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is MNGFZYUMAKIKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7-9(10(17)18)6-13-11(15-7)12-5-8-3-2-4-14-16-8/h2-4,6H,5H2,1H3,(H,17,18)(H,12,13,15).
What are the key properties of 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid?
4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 106896468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).