3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

C12H18N4O2 — CID 106258572

IUPAC3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCOc1ncnc(NC2CCN(C)C2=O)c1C
InChIInChI=1S/C12H18N4O2/c1-4-18-11-8(2)10(13-7-14-11)15-9-5-6-16(3)12(9)17/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyUMNMXPFKGVOPKC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.83
Rot. Bonds4

About 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one

3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (PubChem CID 106258572) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
PubChem CID106258572
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
SMILESCCOc1ncnc(NC2CCN(C)C2=O)c1C
InChIInChI=1S/C12H18N4O2/c1-4-18-11-8(2)10(13-7-14-11)15-9-5-6-16(3)12(9)17/h7,9H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyUMNMXPFKGVOPKC-UHFFFAOYSA-N
XLogP0.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106256788
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258768
3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258631
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106256817
1-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106258791
3-[(5-bromo-6-chloropyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257612
ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106258348
1-methyl-3-[(3-propoxy-2-pyridinyl)amino]pyrrolidin-2-one
CID 106258259
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)cyclobutane-1,3-diamine
CID 66324925
6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83025758
N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66324741
6-ethoxy-5-methyl-N-(oxan-3-yl)pyrimidin-4-amine
CID 66325436

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one (CID 106258572) is 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is CCOc1ncnc(NC2CCN(C)C2=O)c1C.
What is the InChIKey of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is UMNMXPFKGVOPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-18-11-8(2)10(13-7-14-11)15-9-5-6-16(3)12(9)17/h7,9H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one?
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).