6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione

C23H27N5O4 — CID 509272

IUPAC6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CC3CCN(C(=O)c4ccno4)CC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C23H27N5O4/c1-3-17-12-18(5-4-15(17)2)25-20-13-21(29)28(23(31)26-20)14-16-7-10-27(11-8-16)22(30)19-6-9-24-32-19/h4-6,9,12-13,16,25H,3,7-8,10-11,14H2,1-2H3,(H,26,31)
InChIKeyVYWWOMJYKDJWQT-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.69
Rot. Bonds6

About 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione

6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 509272) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID509272
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCCc1cc(Nc2cc(=O)n(CC3CCN(C(=O)c4ccno4)CC3)c(=O)[nH]2)ccc1C
InChIInChI=1S/C23H27N5O4/c1-3-17-12-18(5-4-15(17)2)25-20-13-21(29)28(23(31)26-20)14-16-7-10-27(11-8-16)22(30)19-6-9-24-32-19/h4-6,9,12-13,16,25H,3,7-8,10-11,14H2,1-2H3,(H,26,31)
InChIKeyVYWWOMJYKDJWQT-UHFFFAOYSA-N
XLogP2.69
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

N-((4-(4-methylpiperazin-1-yl)phenyl)methyl)-1,2-oxazole-5-carboxamide
CID 2738575
(S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)isoxazole-5-carboxamide
CID 44577649
N-(4'-{[(Cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)isoxazole-5-carboxamide
CID 44578461
N-[5-[[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-phenyl]isoxazole-5-carboxamide
CID 16745811
5-Isoxazoyl-Cha-Ile-4-aminophenyl-(4-[aminomethyl]piperidin-1-yl)ethan-2-one
CID 49788380
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 129626030
5-isoxazoyl-Cha-Ile-(3-aminophenyl)-(4-[aminomethyl]piperidin-1-yl)methanone
CID 49788440
5-Isoxazoyl-Cha-Ile-4-aminophenyl-(4morpholin-1-yl)ethan-2-one
CID 49788505
N-[(2S)-1-(3-carbamoylanilino)-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156009830
N-[(2S)-1-[3-(2-amino-2-oxoethyl)anilino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156018888
3-[[4-[4-(1,2-oxazole-5-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-1H-quinazoline-2,4-dione
CID 68173655
N-[(2S)-1-[[(2S,3S)-1-[[3-[4-(2-aminoethyl)anilino]-3-oxopropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 49788309

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione (CID 509272) is 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione is CCc1cc(Nc2cc(=O)n(CC3CCN(C(=O)c4ccno4)CC3)c(=O)[nH]2)ccc1C.
What is the InChIKey of 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VYWWOMJYKDJWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-3-17-12-18(5-4-15(17)2)25-20-13-21(29)28(23(31)26-20)14-16-7-10-27(11-8-16)22(30)19-6-9-24-32-19/h4-6,9,12-13,16,25H,3,7-8,10-11,14H2,1-2H3,(H,26,31).
What are the key properties of 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione?
6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylanilino)-3-[[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 509272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).