3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one

C17H20N4O2 — CID 133484160

IUPAC3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCCOc1cc(NC2CCN(c3ccc(C)cc3)C2=O)ncn1
InChIInChI=1S/C17H20N4O2/c1-3-23-16-10-15(18-11-19-16)20-14-8-9-21(17(14)22)13-6-4-12(2)5-7-13/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyNFLORLJCRJLNQQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.40
Rot. Bonds5

About 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one

3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 133484160) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID133484160
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCCOc1cc(NC2CCN(c3ccc(C)cc3)C2=O)ncn1
InChIInChI=1S/C17H20N4O2/c1-3-23-16-10-15(18-11-19-16)20-14-8-9-21(17(14)22)13-6-4-12(2)5-7-13/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyNFLORLJCRJLNQQ-UHFFFAOYSA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353967
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 133340094
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133354008
3-methyl-5-[[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-benzoxazol-2-one
CID 96568016
3-(3-methylbutylamino)-1-(4-methylphenyl)pyrrolidin-2-one
CID 119139001
2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
CID 133353927
3-(4-fluoro-2-nitroanilino)-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353914
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258572
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one (CID 133484160) is 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one is CCOc1cc(NC2CCN(c3ccc(C)cc3)C2=O)ncn1.
What is the InChIKey of 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is NFLORLJCRJLNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-23-16-10-15(18-11-19-16)20-14-8-9-21(17(14)22)13-6-4-12(2)5-7-13/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one?
3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 133484160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).