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

C19H23N5O5S — CID 24567591

IUPAC6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2nc3ccccc3n2CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N5O5S/c1-28-9-7-23-13-6-4-3-5-12(13)21-19(23)30-11-14(25)15-16(20)24(8-10-29-2)18(27)22-17(15)26/h3-6H,7-11,20H2,1-2H3,(H,22,26,27)
InChIKeyNMGGIZMHYGXYIT-UHFFFAOYSA-N
MW433.49 g/mol
LogP0.74
Rot. Bonds10

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

6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 24567591) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID24567591
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2nc3ccccc3n2CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N5O5S/c1-28-9-7-23-13-6-4-3-5-12(13)21-19(23)30-11-14(25)15-16(20)24(8-10-29-2)18(27)22-17(15)26/h3-6H,7-11,20H2,1-2H3,(H,22,26,27)
InChIKeyNMGGIZMHYGXYIT-UHFFFAOYSA-N
XLogP0.74
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505834
6-amino-5-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-1-propylpyrimidine-2,4-dione
CID 4786576
6-amino-1-(2-methoxyethyl)-5-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24571774
6-amino-1-cyclopropyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 25341475
6-amino-5-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 24567355
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163
6-amino-5-[2-(4-ethoxyphenyl)sulfanylacetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42089527
6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 18227479
6-amino-5-[2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42409457
6-amino-5-[2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 24565518
3-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropyl]-1H-benzimidazol-2-one
CID 16505838
1-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4267164

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione (CID 24567591) is 6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CSc2nc3ccccc3n2CCOC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is NMGGIZMHYGXYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/c1-28-9-7-23-13-6-4-3-5-12(13)21-19(23)30-11-14(25)15-16(20)24(8-10-29-2)18(27)22-17(15)26/h3-6H,7-11,20H2,1-2H3,(H,22,26,27).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 433.49 g/mol, XLogP of 0.74, 10 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-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24567591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).