1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione

C16H19IN2O4 — CID 57493893

IUPAC1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione
SMILESCOCC(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)cc(I)c1OC
InChIInChI=1S/C16H19IN2O4/c1-16(2,9-22-3)11-7-10(8-12(17)14(11)23-4)19-6-5-13(20)18-15(19)21/h5-8H,9H2,1-4H3,(H,18,20,21)
InChIKeyGZBBQATYCSNALC-UHFFFAOYSA-N
MW430.24 g/mol
LogP2.06
Rot. Bonds5

About 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione

1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione (PubChem CID 57493893) has the molecular formula C16H19IN2O4 and a molecular weight of 430.24 g/mol. Its IUPAC name is 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione
PubChem CID57493893
Molecular FormulaC16H19IN2O4
Molecular Weight430.24 g/mol
Exact Mass430.04
IUPAC Name1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione
SMILESCOCC(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)cc(I)c1OC
InChIInChI=1S/C16H19IN2O4/c1-16(2,9-22-3)11-7-10(8-12(17)14(11)23-4)19-6-5-13(20)18-15(19)21/h5-8H,9H2,1-4H3,(H,18,20,21)
InChIKeyGZBBQATYCSNALC-UHFFFAOYSA-N
XLogP2.06
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[3-tert-butyl-4-methoxy-5-[2-(sulfanylamino)ethynyl]phenyl]pyrimidine-2,4-dione
CID 90291636
1-[3-tert-butyl-4-methoxy-5-(2-phenylethenyl)phenyl]pyrimidine-2,4-dione
CID 67066424
1-[3-tert-butyl-4-methoxy-5-[(1-methylindol-3-yl)methyl]phenyl]pyrimidine-2,4-dione
CID 67066548
1-[3-tert-butyl-4-methoxy-5-(1-oxo-2,3-dihydroinden-5-yl)phenyl]pyrimidine-2,4-dione
CID 25234611
1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 121216485
1-[3-(1,3-benzothiazol-2-yl)-5-tert-butyl-4-methoxyphenyl]pyrimidine-2,4-dione
CID 67066317
CID 67066265
CID 67066265
N-[4-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide;hydrate
CID 67066554
(2S)-3-[[6-[5-(2,4-dioxopyrimidin-1-yl)-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenyl]naphthalen-2-yl]amino]-2-methylpropanal
CID 88900781
1-[3-tert-butyl-4-methoxy-5-[2-(4-nitrophenyl)ethenyl]phenyl]pyrimidine-2,4-dione
CID 67066440
1-[3-tert-butyl-5-(6-hydroxysulfanyloxynaphthalen-2-yl)-4-methoxyphenyl]pyrimidine-2,4-dione
CID 122494824
1-(3-tert-butyl-4-methoxy-5-quinolin-6-ylphenyl)pyrimidine-2,4-dione
CID 141375280

Frequently Asked Questions

What is the IUPAC name of 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione (CID 57493893) is 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione is COCC(C)(C)c1cc(-n2ccc(=O)[nH]c2=O)cc(I)c1OC.
What is the InChIKey of 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione?
The InChIKey is GZBBQATYCSNALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O4/c1-16(2,9-22-3)11-7-10(8-12(17)14(11)23-4)19-6-5-13(20)18-15(19)21/h5-8H,9H2,1-4H3,(H,18,20,21).
What are the key properties of 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione?
1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione has a molecular weight of 430.24 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-iodo-4-methoxy-5-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 57493893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).