1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea

C17H17N5S2 — CID 10309018

IUPAC1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
SMILESCc1cccc(-c2cc3ncnc(NNC(=S)NC4CC4)c3s2)c1
InChIInChI=1S/C17H17N5S2/c1-10-3-2-4-11(7-10)14-8-13-15(24-14)16(19-9-18-13)21-22-17(23)20-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,18,19,21)(H2,20,22,23)
InChIKeyRYPHCGUALLKPPY-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.62
Rot. Bonds4

About 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea

1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea (PubChem CID 10309018) has the molecular formula C17H17N5S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
PubChem CID10309018
Molecular FormulaC17H17N5S2
Molecular Weight355.49 g/mol
Exact Mass355.09
IUPAC Name1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea
SMILESCc1cccc(-c2cc3ncnc(NNC(=S)NC4CC4)c3s2)c1
InChIInChI=1S/C17H17N5S2/c1-10-3-2-4-11(7-10)14-8-13-15(24-14)16(19-9-18-13)21-22-17(23)20-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,18,19,21)(H2,20,22,23)
InChIKeyRYPHCGUALLKPPY-UHFFFAOYSA-N
XLogP3.62
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The IUPAC name of 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea (CID 10309018) is 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea is Cc1cccc(-c2cc3ncnc(NNC(=S)NC4CC4)c3s2)c1.
What is the InChIKey of 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
The InChIKey is RYPHCGUALLKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S2/c1-10-3-2-4-11(7-10)14-8-13-15(24-14)16(19-9-18-13)21-22-17(23)20-12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,18,19,21)(H2,20,22,23).
What are the key properties of 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea?
1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea has a molecular weight of 355.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[6-(3-methylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]thiourea is sourced from PubChem (CID 10309018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).