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

C12H20N4O2S — CID 107547062

IUPAC2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide
SMILESCOCCN(c1nccc(C(N)=S)n1)C(C)COC
InChIInChI=1S/C12H20N4O2S/c1-9(8-18-3)16(6-7-17-2)12-14-5-4-10(15-12)11(13)19/h4-5,9H,6-8H2,1-3H3,(H2,13,19)
InChIKeyMNVDBRFFXDMUGI-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.60
Rot. Bonds8

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

2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide (PubChem CID 107547062) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide
PubChem CID107547062
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide
SMILESCOCCN(c1nccc(C(N)=S)n1)C(C)COC
InChIInChI=1S/C12H20N4O2S/c1-9(8-18-3)16(6-7-17-2)12-14-5-4-10(15-12)11(13)19/h4-5,9H,6-8H2,1-3H3,(H2,13,19)
InChIKeyMNVDBRFFXDMUGI-UHFFFAOYSA-N
XLogP0.60
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-4-carbothioamide
CID 107546852
2-[1-(dimethylamino)propan-2-yl-ethylamino]pyrimidine-4-carbothioamide
CID 107548219
4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 62927129
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 55005297
2-[methyl(3-methylbutyl)amino]pyrimidine-4-carbothioamide
CID 107546802
2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547939
3-[butan-2-yl(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62685655
6-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 64589442
2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide
CID 107547487
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63756888
2-chloro-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzenecarbothioamide
CID 62496690
2-[bis(2-hydroxyethyl)amino]pyrimidine-4-carbothioamide
CID 107546750

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide (CID 107547062) is 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide is COCCN(c1nccc(C(N)=S)n1)C(C)COC.
What is the InChIKey of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide?
The InChIKey is MNVDBRFFXDMUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9(8-18-3)16(6-7-17-2)12-14-5-4-10(15-12)11(13)19/h4-5,9H,6-8H2,1-3H3,(H2,13,19).
What are the key properties of 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide?
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide has a molecular weight of 284.39 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).