4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid

C12H15N5O2 — CID 83182047

IUPAC4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NCCc2nccn2C)ncc1C(=O)O
InChIInChI=1S/C12H15N5O2/c1-8-9(11(18)19)7-15-12(16-8)14-4-3-10-13-5-6-17(10)2/h5-7H,3-4H2,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyPZSJTWWPXVJWPW-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.87
Rot. Bonds5

About 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid

4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid (PubChem CID 83182047) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
PubChem CID83182047
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NCCc2nccn2C)ncc1C(=O)O
InChIInChI=1S/C12H15N5O2/c1-8-9(11(18)19)7-15-12(16-8)14-4-3-10-13-5-6-17(10)2/h5-7H,3-4H2,1-2H3,(H,18,19)(H,14,15,16)
InChIKeyPZSJTWWPXVJWPW-UHFFFAOYSA-N
XLogP0.87
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 103007454
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
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-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 114528404
2-(cyclopentylmethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181809
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid (CID 83182047) is 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid is Cc1nc(NCCc2nccn2C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
The InChIKey is PZSJTWWPXVJWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-9(11(18)19)7-15-12(16-8)14-4-3-10-13-5-6-17(10)2/h5-7H,3-4H2,1-2H3,(H,18,19)(H,14,15,16).
What are the key properties of 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83182047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).