1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea

C19H15N5OS — CID 44528605

IUPAC1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea
SMILESNc1ncnc2cc(-c3cccc(NC(=O)Nc4ccccc4)c3)sc12
InChIInChI=1S/C19H15N5OS/c20-18-17-15(21-11-22-18)10-16(26-17)12-5-4-8-14(9-12)24-19(25)23-13-6-2-1-3-7-13/h1-11H,(H2,20,21,22)(H2,23,24,25)
InChIKeyXVURXSNXKLZHKP-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.58
Rot. Bonds3

About 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea

1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea (PubChem CID 44528605) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea
PubChem CID44528605
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea
SMILESNc1ncnc2cc(-c3cccc(NC(=O)Nc4ccccc4)c3)sc12
InChIInChI=1S/C19H15N5OS/c20-18-17-15(21-11-22-18)10-16(26-17)12-5-4-8-14(9-12)24-19(25)23-13-6-2-1-3-7-13/h1-11H,(H2,20,21,22)(H2,23,24,25)
InChIKeyXVURXSNXKLZHKP-UHFFFAOYSA-N
XLogP4.58
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
Benzothieno[3,2-d]pyrimidine deriv. 61
CID 5328409
1-{5-[2-(Thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
CID 24880024
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
Benzothieno[3,2-d]pyrimidine deriv. 53
CID 5328401
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 11
CID 6539972
Thienopyrimidine deriv. 72
CID 6539979
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-benzylurea
CID 6539981
Thienopyrimidine deriv. 74
CID 6539983
Thienopyrimidine deriv. 75
CID 6539984

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea (CID 44528605) is 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea is Nc1ncnc2cc(-c3cccc(NC(=O)Nc4ccccc4)c3)sc12.
What is the InChIKey of 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea?
The InChIKey is XVURXSNXKLZHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c20-18-17-15(21-11-22-18)10-16(26-17)12-5-4-8-14(9-12)24-19(25)23-13-6-2-1-3-7-13/h1-11H,(H2,20,21,22)(H2,23,24,25).
What are the key properties of 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea?
1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea has a molecular weight of 361.43 g/mol, XLogP of 4.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminothieno[3,2-d]pyrimidin-6-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 44528605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).