2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide

C10H16N4OS — CID 107546852

IUPAC2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide
SMILESCOCC(C)N(C)c1nccc(C(N)=S)n1
InChIInChI=1S/C10H16N4OS/c1-7(6-15-3)14(2)10-12-5-4-8(13-10)9(11)16/h4-5,7H,6H2,1-3H3,(H2,11,16)
InChIKeyHEGJZVKDCGYWIX-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.58
Rot. Bonds5

About 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide

2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide (PubChem CID 107546852) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide
PubChem CID107546852
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide
SMILESCOCC(C)N(C)c1nccc(C(N)=S)n1
InChIInChI=1S/C10H16N4OS/c1-7(6-15-3)14(2)10-12-5-4-8(13-10)9(11)16/h4-5,7H,6H2,1-3H3,(H2,11,16)
InChIKeyHEGJZVKDCGYWIX-UHFFFAOYSA-N
XLogP0.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide (CID 107546852) is 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide is COCC(C)N(C)c1nccc(C(N)=S)n1.
What is the InChIKey of 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide?
The InChIKey is HEGJZVKDCGYWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(6-15-3)14(2)10-12-5-4-8(13-10)9(11)16/h4-5,7H,6H2,1-3H3,(H2,11,16).
What are the key properties of 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide?
2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide has a molecular weight of 240.33 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107546852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).