1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea

C20H19N5OS — CID 69205545

IUPAC1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(N3C=Nc4sccc4C3N)cc2)c1
InChIInChI=1S/C20H19N5OS/c1-13-3-2-4-15(11-13)24-20(26)23-14-5-7-16(8-6-14)25-12-22-19-17(18(25)21)9-10-27-19/h2-12,18H,21H2,1H3,(H2,23,24,26)
InChIKeyVFMWYEVVLMALLI-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.84
Rot. Bonds3

About 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 69205545) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID69205545
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(N3C=Nc4sccc4C3N)cc2)c1
InChIInChI=1S/C20H19N5OS/c1-13-3-2-4-15(11-13)24-20(26)23-14-5-7-16(8-6-14)25-12-22-19-17(18(25)21)9-10-27-19/h2-12,18H,21H2,1H3,(H2,23,24,26)
InChIKeyVFMWYEVVLMALLI-UHFFFAOYSA-N
XLogP4.84
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69205771
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(3-methylphenyl)-3-thiophen-2-ylurea
CID 108889157
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
N-(3-methylphenyl)acetamide
CID 10843
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
1-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 77046632
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea (CID 69205545) is 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(N3C=Nc4sccc4C3N)cc2)c1.
What is the InChIKey of 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is VFMWYEVVLMALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13-3-2-4-15(11-13)24-20(26)23-14-5-7-16(8-6-14)25-12-22-19-17(18(25)21)9-10-27-19/h2-12,18H,21H2,1H3,(H2,23,24,26).
What are the key properties of 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 377.47 g/mol, XLogP of 4.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 69205545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).