ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate

C15H18N4O3 — CID 154763474

IUPACethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCc2ccc(=O)[nH]c2)nc1C
InChIInChI=1S/C15H18N4O3/c1-3-22-14(21)12-9-18-15(19-10(12)2)16-7-6-11-4-5-13(20)17-8-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyQLRBTJOELUSLOS-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.30
Rot. Bonds6

About ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate

ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate (PubChem CID 154763474) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate
PubChem CID154763474
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NCCc2ccc(=O)[nH]c2)nc1C
InChIInChI=1S/C15H18N4O3/c1-3-22-14(21)12-9-18-15(19-10(12)2)16-7-6-11-4-5-13(20)17-8-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyQLRBTJOELUSLOS-UHFFFAOYSA-N
XLogP1.30
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-[(6-methyl-3-pyridinyl)methylamino]pyrimidine-5-carboxylate
CID 83179210
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 2-[2-(5-bromothiophen-2-yl)ethylamino]-4-methylpyrimidine-5-carboxylate
CID 103915133
ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate
CID 83178473
ethyl 4-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxylate
CID 83178980
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 4-methyl-2-(4,4,4-trifluorobutylamino)pyrimidine-5-carboxylate
CID 83178372
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178579
ethyl 4-methyl-2-(2-phenylethylcarbamothioylamino)pyrimidine-5-carboxylate
CID 100564365
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-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate (CID 154763474) is ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NCCc2ccc(=O)[nH]c2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate?
The InChIKey is QLRBTJOELUSLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-22-14(21)12-9-18-15(19-10(12)2)16-7-6-11-4-5-13(20)17-8-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate?
ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[2-(6-oxo-1H-pyridin-3-yl)ethylamino]pyrimidine-5-carboxylate is sourced from PubChem (CID 154763474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).