4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide

C11H18N4O2S — CID 112755406

IUPAC4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide
SMILESCOCCOCCNc1nc(C)ncc1C(N)=S
InChIInChI=1S/C11H18N4O2S/c1-8-14-7-9(10(12)18)11(15-8)13-3-4-17-6-5-16-2/h7H,3-6H2,1-2H3,(H2,12,18)(H,13,14,15)
InChIKeyYSTKOBPYHSUDSH-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.49
Rot. Bonds8

About 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide

4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide (PubChem CID 112755406) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide
PubChem CID112755406
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide
SMILESCOCCOCCNc1nc(C)ncc1C(N)=S
InChIInChI=1S/C11H18N4O2S/c1-8-14-7-9(10(12)18)11(15-8)13-3-4-17-6-5-16-2/h7H,3-6H2,1-2H3,(H2,12,18)(H,13,14,15)
InChIKeyYSTKOBPYHSUDSH-UHFFFAOYSA-N
XLogP0.49
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide
CID 154628246
4-[(1-methoxycyclobutyl)methylamino]-2-methylpyrimidine-5-carbothioamide
CID 112755525
4-N-[2-(2-methoxyethoxy)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80813103
5-bromo-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 119026670
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 55107366
4-[2-(2-methoxyethoxy)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81053930
N-[2-(2-methoxyethoxy)ethyl]-2-methylpyrimidin-4-amine
CID 62784368
4-(2-cyclopropylpropan-2-ylamino)-2-methylpyrimidine-5-carbothioamide
CID 112755520
5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
CID 63672707
5,6-diethyl-3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbothioamide
CID 80511343
N-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475636
ethyl 4-(2-methoxyethylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 3833880

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide (CID 112755406) is 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide is COCCOCCNc1nc(C)ncc1C(N)=S.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide?
The InChIKey is YSTKOBPYHSUDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8-14-7-9(10(12)18)11(15-8)13-3-4-17-6-5-16-2/h7H,3-6H2,1-2H3,(H2,12,18)(H,13,14,15).
What are the key properties of 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide?
4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide has a molecular weight of 270.36 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylamino]-2-methylpyrimidine-5-carbothioamide is sourced from PubChem (CID 112755406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).