6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C18H18BrN5O4S — CID 24571848

IUPAC6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2ncc(-c3ccc(Br)cc3)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C18H18BrN5O4S/c1-28-7-6-24-15(20)14(16(26)23-18(24)27)13(25)9-29-17-21-8-12(22-17)10-2-4-11(19)5-3-10/h2-5,8H,6-7,9,20H2,1H3,(H,21,22)(H,23,26,27)
InChIKeyKJDVNZADERDRIQ-UHFFFAOYSA-N
MW480.34 g/mol
LogP1.89
Rot. Bonds8

About 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 24571848) has the molecular formula C18H18BrN5O4S and a molecular weight of 480.34 g/mol. Its IUPAC name is 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID24571848
Molecular FormulaC18H18BrN5O4S
Molecular Weight480.34 g/mol
Exact Mass479.03
IUPAC Name6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2ncc(-c3ccc(Br)cc3)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C18H18BrN5O4S/c1-28-7-6-24-15(20)14(16(26)23-18(24)27)13(25)9-29-17-21-8-12(22-17)10-2-4-11(19)5-3-10/h2-5,8H,6-7,9,20H2,1H3,(H,21,22)(H,23,26,27)
InChIKeyKJDVNZADERDRIQ-UHFFFAOYSA-N
XLogP1.89
TPSA135.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-5-[2-(4-ethoxyphenyl)sulfanylacetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42089527
6-amino-1-(2-methoxyethyl)-5-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24567591
6-amino-5-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42332937
6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 24570592
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 17427646
6-amino-1-(2-methoxyethyl)-5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 18227479
6-amino-1-(2-methoxyethyl)-5-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 24571774
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
6-amino-1-(2-methoxyethyl)-5-[2-(1-prop-2-enyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 55997545
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-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42348811
6-amino-1-(2-methylpropyl)-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione
CID 24569772

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 24571848) is 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CSc2ncc(-c3ccc(Br)cc3)[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is KJDVNZADERDRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O4S/c1-28-7-6-24-15(20)14(16(26)23-18(24)27)13(25)9-29-17-21-8-12(22-17)10-2-4-11(19)5-3-10/h2-5,8H,6-7,9,20H2,1H3,(H,21,22)(H,23,26,27).
What are the key properties of 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 480.34 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 24571848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).