6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione

C21H19N5O4S2 — CID 24570592

IUPAC6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(=O)[nH]c1=O
InChIInChI=1S/C21H19N5O4S2/c1-30-8-7-26-17(22)16(18(28)25-21(26)29)14(27)10-32-20-15-13(12-5-3-2-4-6-12)9-31-19(15)23-11-24-20/h2-6,9,11H,7-8,10,22H2,1H3,(H,25,28,29)
InChIKeyGEAKTVFURYJMCV-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.41
Rot. Bonds8

About 6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 24570592) has the molecular formula C21H19N5O4S2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID24570592
Molecular FormulaC21H19N5O4S2
Molecular Weight469.55 g/mol
Exact Mass469.09
IUPAC Name6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(=O)[nH]c1=O
InChIInChI=1S/C21H19N5O4S2/c1-30-8-7-26-17(22)16(18(28)25-21(26)29)14(27)10-32-20-15-13(12-5-3-2-4-6-12)9-31-19(15)23-11-24-20/h2-6,9,11H,7-8,10,22H2,1H3,(H,25,28,29)
InChIKeyGEAKTVFURYJMCV-UHFFFAOYSA-N
XLogP2.41
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.41
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-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione (CID 24570592) is 6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione is COCCn1c(N)c(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is GEAKTVFURYJMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S2/c1-30-8-7-26-17(22)16(18(28)25-21(26)29)14(27)10-32-20-15-13(12-5-3-2-4-6-12)9-31-19(15)23-11-24-20/h2-6,9,11H,7-8,10,22H2,1H3,(H,25,28,29).
What are the key properties of 6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1-(2-methoxyethyl)-5-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 469.55 g/mol, XLogP of 2.41, 8 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-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24570592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).