6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione

C14H18N4O2S — CID 62842579

IUPAC6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NC2CCCc3sccc32)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O2S/c1-2-18-12(15)11(13(19)17-14(18)20)16-9-4-3-5-10-8(9)6-7-21-10/h6-7,9,16H,2-5,15H2,1H3,(H,17,19,20)
InChIKeyBKXBGMMVHWFZGW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.69
Rot. Bonds3

About 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione (PubChem CID 62842579) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione
PubChem CID62842579
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NC2CCCc3sccc32)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N4O2S/c1-2-18-12(15)11(13(19)17-14(18)20)16-9-4-3-5-10-8(9)6-7-21-10/h6-7,9,16H,2-5,15H2,1H3,(H,17,19,20)
InChIKeyBKXBGMMVHWFZGW-UHFFFAOYSA-N
XLogP1.69
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione (CID 62842579) is 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione is CCn1c(N)c(NC2CCCc3sccc32)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione?
The InChIKey is BKXBGMMVHWFZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-2-18-12(15)11(13(19)17-14(18)20)16-9-4-3-5-10-8(9)6-7-21-10/h6-7,9,16H,2-5,15H2,1H3,(H,17,19,20).
What are the key properties of 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione has a molecular weight of 306.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 62842579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).