3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide

C11H17N5OS — CID 107548252

IUPAC3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C11H17N5OS/c1-7-6-8(10(12)18)15-11(14-7)16(3)5-4-9(17)13-2/h6H,4-5H2,1-3H3,(H2,12,18)(H,13,17)
InChIKeyBSMWEHJKDPQYLL-UHFFFAOYSA-N
MW267.36 g/mol
LogP-0.01
Rot. Bonds5

About 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide

3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide (PubChem CID 107548252) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide
PubChem CID107548252
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(C)cc(C(N)=S)n1
InChIInChI=1S/C11H17N5OS/c1-7-6-8(10(12)18)15-11(14-7)16(3)5-4-9(17)13-2/h6H,4-5H2,1-3H3,(H2,12,18)(H,13,17)
InChIKeyBSMWEHJKDPQYLL-UHFFFAOYSA-N
XLogP-0.01
TPSA84.14 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 ≤ 5-0.01
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

ethyl 2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]acetate
CID 107546994
3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915599
6-methyl-2-[methyl(2-methylsulfanylethyl)amino]pyrimidine-4-carbothioamide
CID 107547935
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-ethylamino]-N-ethylacetamide
CID 107547005
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-propan-2-ylamino]acetamide
CID 107547034
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
6-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107546796
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
2-[(3-methoxyphenyl)methyl-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546784
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546694
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)amino]propanamide
CID 107546644

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide (CID 107548252) is 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nc(C)cc(C(N)=S)n1.
What is the InChIKey of 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide?
The InChIKey is BSMWEHJKDPQYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-7-6-8(10(12)18)15-11(14-7)16(3)5-4-9(17)13-2/h6H,4-5H2,1-3H3,(H2,12,18)(H,13,17).
What are the key properties of 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide?
3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide has a molecular weight of 267.36 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 107548252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).