4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid

C12H15N5O2 — CID 103007454

IUPAC4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NCCc2ccnn2C)ncc1C(=O)O
InChIInChI=1S/C12H15N5O2/c1-8-10(11(18)19)7-14-12(16-8)13-5-3-9-4-6-15-17(9)2/h4,6-7H,3,5H2,1-2H3,(H,18,19)(H,13,14,16)
InChIKeyXFCKLAYRNLDDQZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.87
Rot. Bonds5

About 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid

4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid (PubChem CID 103007454) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid
PubChem CID103007454
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid
SMILESCc1nc(NCCc2ccnn2C)ncc1C(=O)O
InChIInChI=1S/C12H15N5O2/c1-8-10(11(18)19)7-14-12(16-8)13-5-3-9-4-6-15-17(9)2/h4,6-7H,3,5H2,1-2H3,(H,18,19)(H,13,14,16)
InChIKeyXFCKLAYRNLDDQZ-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-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
methyl 2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 104695958
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
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
5-chloro-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 103007409
2-[2-[(3R,4S)-4-hydroxyoxolan-3-yl]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 167757701
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-[2-[cyclopentyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83181981
4-methyl-2-(4-propan-2-yloxybutylamino)pyrimidine-5-carboxylic acid
CID 106003890

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid (CID 103007454) is 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid is Cc1nc(NCCc2ccnn2C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid?
The InChIKey is XFCKLAYRNLDDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-10(11(18)19)7-14-12(16-8)13-5-3-9-4-6-15-17(9)2/h4,6-7H,3,5H2,1-2H3,(H,18,19)(H,13,14,16).
What are the key properties of 4-methyl-2-[2-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid?
4-methyl-2-[2-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)ethylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 103007454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).