6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione

C19H21N5O5S — CID 18227479

IUPAC6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2nccn2-c2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H21N5O5S/c1-28-9-8-24-16(20)15(17(26)22-18(24)27)14(25)11-30-19-21-6-7-23(19)12-4-3-5-13(10-12)29-2/h3-7,10H,8-9,11,20H2,1-2H3,(H,22,26,27)
InChIKeyWYXWNCGHIVFBMK-UHFFFAOYSA-N
MW431.47 g/mol
LogP0.93
Rot. Bonds9

About 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 18227479) has the molecular formula C19H21N5O5S and a molecular weight of 431.47 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID18227479
Molecular FormulaC19H21N5O5S
Molecular Weight431.47 g/mol
Exact Mass431.13
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2nccn2-c2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H21N5O5S/c1-28-9-8-24-16(20)15(17(26)22-18(24)27)14(25)11-30-19-21-6-7-23(19)12-4-3-5-13(10-12)29-2/h3-7,10H,8-9,11,20H2,1-2H3,(H,22,26,27)
InChIKeyWYXWNCGHIVFBMK-UHFFFAOYSA-N
XLogP0.93
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (CID 18227479) is 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CSc2nccn2-c2cccc(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is WYXWNCGHIVFBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5S/c1-28-9-8-24-16(20)15(17(26)22-18(24)27)14(25)11-30-19-21-6-7-23(19)12-4-3-5-13(10-12)29-2/h3-7,10H,8-9,11,20H2,1-2H3,(H,22,26,27).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 431.47 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 18227479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).