1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea

C17H19N5OS — CID 6539987

IUPAC1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1
InChIInChI=1S/C17H19N5OS/c1-10(2)7-19-17(23)22-12-5-3-11(4-6-12)13-8-24-16-14(13)15(18)20-9-21-16/h3-6,8-10H,7H2,1-2H3,(H2,18,20,21)(H2,19,22,23)
InChIKeyIZZSIDQJHNRLFW-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.72
Rot. Bonds4

About 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea

1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea (PubChem CID 6539987) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea
PubChem CID6539987
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1
InChIInChI=1S/C17H19N5OS/c1-10(2)7-19-17(23)22-12-5-3-11(4-6-12)13-8-24-16-14(13)15(18)20-9-21-16/h3-6,8-10H,7H2,1-2H3,(H2,18,20,21)(H2,19,22,23)
InChIKeyIZZSIDQJHNRLFW-UHFFFAOYSA-N
XLogP3.72
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea (CID 6539987) is 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1.
What is the InChIKey of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea?
The InChIKey is IZZSIDQJHNRLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-10(2)7-19-17(23)22-12-5-3-11(4-6-12)13-8-24-16-14(13)15(18)20-9-21-16/h3-6,8-10H,7H2,1-2H3,(H2,18,20,21)(H2,19,22,23).
What are the key properties of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea?
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea has a molecular weight of 341.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 6539987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).