ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate

C13H17N5O2 — CID 83179327

IUPACethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCn2cccn2)nc1C
InChIInChI=1S/C13H17N5O2/c1-3-20-12(19)11-9-15-13(17-10(11)2)14-6-8-18-7-4-5-16-18/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15,17)
InChIKeyQDYVTFQBGSDKAH-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.27
Rot. Bonds6

About ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate (PubChem CID 83179327) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
PubChem CID83179327
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Nameethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCn2cccn2)nc1C
InChIInChI=1S/C13H17N5O2/c1-3-20-12(19)11-9-15-13(17-10(11)2)14-6-8-18-7-4-5-16-18/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15,17)
InChIKeyQDYVTFQBGSDKAH-UHFFFAOYSA-N
XLogP1.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate
CID 83178473
ethyl 4-methyl-2-(4,4,4-trifluorobutylamino)pyrimidine-5-carboxylate
CID 83178372
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 4-methyl-2-(3-methylsulfinylbutylamino)pyrimidine-5-carboxylate
CID 115967587
ethyl 4-methyl-2-[(3-methyl-4-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 114700911
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate
CID 83178869
ethyl 4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carboxylate
CID 126835547
ethyl 4-methyl-2-[3-(1-methylpiperidin-4-yl)propylamino]pyrimidine-5-carboxylate;4-methyl-2-[3-(1-methylpiperidin-4-yl)propylamino]pyrimidine-5-carboxylic acid
CID 157231341

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate (CID 83179327) is ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCCn2cccn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate?
The InChIKey is QDYVTFQBGSDKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-20-12(19)11-9-15-13(17-10(11)2)14-6-8-18-7-4-5-16-18/h4-5,7,9H,3,6,8H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 83179327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).