5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide

C10H15N5OS — CID 114162241

IUPAC5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nccc(C(N)=S)n1
InChIInChI=1S/C10H15N5OS/c11-8(16)3-1-2-5-13-10-14-6-4-7(15-10)9(12)17/h4,6H,1-3,5H2,(H2,11,16)(H2,12,17)(H,13,14,15)
InChIKeyXFIIKFLTYQWKAE-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.18
Rot. Bonds7

About 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide

5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide (PubChem CID 114162241) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide
PubChem CID114162241
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nccc(C(N)=S)n1
InChIInChI=1S/C10H15N5OS/c11-8(16)3-1-2-5-13-10-14-6-4-7(15-10)9(12)17/h4,6H,1-3,5H2,(H2,11,16)(H2,12,17)(H,13,14,15)
InChIKeyXFIIKFLTYQWKAE-UHFFFAOYSA-N
XLogP0.18
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide?
The IUPAC name of 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide (CID 114162241) is 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide.
What is the SMILES notation for 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide?
The canonical SMILES for 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide is NC(=O)CCCCNc1nccc(C(N)=S)n1.
What is the InChIKey of 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide?
The InChIKey is XFIIKFLTYQWKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c11-8(16)3-1-2-5-13-10-14-6-4-7(15-10)9(12)17/h4,6H,1-3,5H2,(H2,11,16)(H2,12,17)(H,13,14,15).
What are the key properties of 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide?
5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide has a molecular weight of 253.33 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carbamothioylpyrimidin-2-yl)amino]pentanamide is sourced from PubChem (CID 114162241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).