1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one

C22H26FN5O4 — CID 121017741

IUPAC1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one
SMILESCCc1ncnc(OC2CCN(C(=O)CN3CCN(c4ccccc4OC)C3=O)C2)c1F
InChIInChI=1S/C22H26FN5O4/c1-3-16-20(23)21(25-14-24-16)32-15-8-9-26(12-15)19(29)13-27-10-11-28(22(27)30)17-6-4-5-7-18(17)31-2/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyRUGRWJOONZHYMT-UHFFFAOYSA-N
MW443.48 g/mol
LogP2.11
Rot. Bonds7

About 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one

1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one (PubChem CID 121017741) has the molecular formula C22H26FN5O4 and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one
PubChem CID121017741
Molecular FormulaC22H26FN5O4
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC Name1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one
SMILESCCc1ncnc(OC2CCN(C(=O)CN3CCN(c4ccccc4OC)C3=O)C2)c1F
InChIInChI=1S/C22H26FN5O4/c1-3-16-20(23)21(25-14-24-16)32-15-8-9-26(12-15)19(29)13-27-10-11-28(22(27)30)17-6-4-5-7-18(17)31-2/h4-7,14-15H,3,8-13H2,1-2H3
InChIKeyRUGRWJOONZHYMT-UHFFFAOYSA-N
XLogP2.11
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-Fluoro-4-(6-(pyrrolidine-1-carboxamido)pyrimidin-4-yloxy)phenyl)-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 44177802
US10172856, Example 16
CID 135353309
US10172856, Example 10
CID 135353363
US10172856, Example 12
CID 135353367
US10172856, Example 79
CID 135353347
N-(4-fluorophenyl)-N-methyl-2-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}acetamide
CID 53129443
3-[2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
CID 56741001
1-(2-Ethoxyphenyl)-3-(6-(pyrrolidin-1-yl)pyrimidin-4-yl)urea
CID 71794965
3-(2-oxo-2-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethyl)benzo[d]oxazol-2(3H)-one
CID 71805808
N-[[(5S)-3-[3-fluoro-4-[(1-pyrimidin-2-yl-4-piperidyl)oxy]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 485731
N-ethyl-2-{[6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}-N-phenylacetamide
CID 49674753
1-(4-Ethoxyphenyl)-3-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}imidazolidin-2-one
CID 49710043

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one (CID 121017741) is 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one is CCc1ncnc(OC2CCN(C(=O)CN3CCN(c4ccccc4OC)C3=O)C2)c1F.
What is the InChIKey of 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one?
The InChIKey is RUGRWJOONZHYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O4/c1-3-16-20(23)21(25-14-24-16)32-15-8-9-26(12-15)19(29)13-27-10-11-28(22(27)30)17-6-4-5-7-18(17)31-2/h4-7,14-15H,3,8-13H2,1-2H3.
What are the key properties of 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one?
1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one has a molecular weight of 443.48 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 121017741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).