4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid

C10H10N4O2S — CID 83181391

IUPAC4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NCc2cscn2)ncc1C(=O)O
InChIInChI=1S/C10H10N4O2S/c1-6-8(9(15)16)3-12-10(14-6)11-2-7-4-17-5-13-7/h3-5H,2H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyXDQNYISPCGZGDG-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.55
Rot. Bonds4

About 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid

4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid (PubChem CID 83181391) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
PubChem CID83181391
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
SMILESCc1nc(NCc2cscn2)ncc1C(=O)O
InChIInChI=1S/C10H10N4O2S/c1-6-8(9(15)16)3-12-10(14-6)11-2-7-4-17-5-13-7/h3-5H,2H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyXDQNYISPCGZGDG-UHFFFAOYSA-N
XLogP1.55
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.55
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-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 63824354
4-methyl-2-(pyridazin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 106896468
2-[(2-ethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181251
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-[(4-fluoro-3,5-dimethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83180580
4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81244868
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182016
2-[2-(dimethylcarbamoylamino)ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83184782
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181383
4,6-dimethyl-2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
CID 63825381

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid (CID 83181391) is 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid is Cc1nc(NCc2cscn2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is XDQNYISPCGZGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-8(9(15)16)3-12-10(14-6)11-2-7-4-17-5-13-7/h3-5H,2H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid?
4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).