2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide

C11H17N5OS — CID 107547034

IUPAC2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide
SMILESCc1cc(C(N)=S)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C11H17N5OS/c1-6(2)16(5-9(12)17)11-14-7(3)4-8(15-11)10(13)18/h4,6H,5H2,1-3H3,(H2,12,17)(H2,13,18)
InChIKeyHPVRADVCOPJWSK-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.12
Rot. Bonds5

About 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide

2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide (PubChem CID 107547034) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide
PubChem CID107547034
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide
SMILESCc1cc(C(N)=S)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C11H17N5OS/c1-6(2)16(5-9(12)17)11-14-7(3)4-8(15-11)10(13)18/h4,6H,5H2,1-3H3,(H2,12,17)(H2,13,18)
InChIKeyHPVRADVCOPJWSK-UHFFFAOYSA-N
XLogP0.12
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide
CID 54989057
ethyl 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]acetate
CID 107546994
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-ethylamino]-N-ethylacetamide
CID 107547005
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 107548252
6-methyl-2-(4-methylpentan-2-yloxy)pyrimidine-4-carbothioamide
CID 107548389
6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide
CID 107547935
2-[(4-ethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546845
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805910
6-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107546796
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644
2-[1-(diethylamino)propan-2-ylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547215
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805912

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide (CID 107547034) is 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide is Cc1cc(C(N)=S)nc(N(CC(N)=O)C(C)C)n1.
What is the InChIKey of 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide?
The InChIKey is HPVRADVCOPJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-6(2)16(5-9(12)17)11-14-7(3)4-8(15-11)10(13)18/h4,6H,5H2,1-3H3,(H2,12,17)(H2,13,18).
What are the key properties of 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide?
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide has a molecular weight of 267.36 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 107547034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).