1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea

C15H17N5S — CID 54583391

IUPAC1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea
SMILESNc1ncc(C2CC2)nc1CNC(=S)Nc1ccccc1
InChIInChI=1S/C15H17N5S/c16-14-13(20-12(8-17-14)10-6-7-10)9-18-15(21)19-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H2,16,17)(H2,18,19,21)
InChIKeyOYCYWWONYAEJKA-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.42
Rot. Bonds4

About 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea

1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea (PubChem CID 54583391) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea
PubChem CID54583391
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea
SMILESNc1ncc(C2CC2)nc1CNC(=S)Nc1ccccc1
InChIInChI=1S/C15H17N5S/c16-14-13(20-12(8-17-14)10-6-7-10)9-18-15(21)19-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H2,16,17)(H2,18,19,21)
InChIKeyOYCYWWONYAEJKA-UHFFFAOYSA-N
XLogP2.42
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea?
The IUPAC name of 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea (CID 54583391) is 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea.
What is the SMILES notation for 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea?
The canonical SMILES for 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea is Nc1ncc(C2CC2)nc1CNC(=S)Nc1ccccc1.
What is the InChIKey of 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea?
The InChIKey is OYCYWWONYAEJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c16-14-13(20-12(8-17-14)10-6-7-10)9-18-15(21)19-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H2,16,17)(H2,18,19,21).
What are the key properties of 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea?
1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea has a molecular weight of 299.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-cyclopropylpyrazin-2-yl)methyl]-3-phenylthiourea is sourced from PubChem (CID 54583391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).