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

C18H21N5OS — CID 69058580

IUPAC1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1
InChIInChI=1S/C18H21N5OS/c1-11(2)7-8-20-18(24)23-13-5-3-12(4-6-13)14-9-25-17-15(14)16(19)21-10-22-17/h3-6,9-11H,7-8H2,1-2H3,(H2,19,21,22)(H2,20,23,24)
InChIKeyVIRHPFOYHCYUKG-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.11
Rot. Bonds5

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

1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea (PubChem CID 69058580) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea
PubChem CID69058580
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1
InChIInChI=1S/C18H21N5OS/c1-11(2)7-8-20-18(24)23-13-5-3-12(4-6-13)14-9-25-17-15(14)16(19)21-10-22-17/h3-6,9-11H,7-8H2,1-2H3,(H2,19,21,22)(H2,20,23,24)
InChIKeyVIRHPFOYHCYUKG-UHFFFAOYSA-N
XLogP4.11
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-butylurea
CID 6539986
1-[4-(aminomethyl)phenyl]-3-(3-methylbutyl)urea
CID 43132978
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
N-(3-aminobutyl)-3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 119499343
1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-(4-methylphenyl)urea
CID 18451383
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59794248
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)-2-methoxyphenyl]-3-(3-chlorophenyl)urea
CID 69056238
N-[4-(dimethylamino)phenyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 2218750
N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2708025
N-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]acetamide
CID 18451353
1-[4-(4-aminothieno[3,2-c]pyridin-3-yl)phenyl]-3-phenylurea
CID 18451389

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea?
The IUPAC name of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea (CID 69058580) is 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea is CC(C)CCNC(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1.
What is the InChIKey of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea?
The InChIKey is VIRHPFOYHCYUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-11(2)7-8-20-18(24)23-13-5-3-12(4-6-13)14-9-25-17-15(14)16(19)21-10-22-17/h3-6,9-11H,7-8H2,1-2H3,(H2,19,21,22)(H2,20,23,24).
What are the key properties of 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea?
1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylbutyl)urea has a molecular weight of 355.47 g/mol, XLogP of 4.11, 5 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-(3-methylbutyl)urea is sourced from PubChem (CID 69058580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).