2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide

C12H18N4OS — CID 114112951

IUPAC2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide
SMILESCOCCC1(CNc2nccc(C(N)=S)n2)CC1
InChIInChI=1S/C12H18N4OS/c1-17-7-5-12(3-4-12)8-15-11-14-6-2-9(16-11)10(13)18/h2,6H,3-5,7-8H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyKIVJUMVTIVYZSU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.34
Rot. Bonds7

About 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide

2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide (PubChem CID 114112951) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide
PubChem CID114112951
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide
SMILESCOCCC1(CNc2nccc(C(N)=S)n2)CC1
InChIInChI=1S/C12H18N4OS/c1-17-7-5-12(3-4-12)8-15-11-14-6-2-9(16-11)10(13)18/h2,6H,3-5,7-8H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyKIVJUMVTIVYZSU-UHFFFAOYSA-N
XLogP1.34
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.34
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

5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-2-carbothioamide
CID 114112956
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
CID 114112950
2-(2,2-dimethylheptylamino)pyrimidine-4-carbothioamide
CID 107547785
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
CID 115457088
2-[(4-methylcyclohexyl)methylamino]pyrimidine-4-carbothioamide
CID 107547443
2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107546276
2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide
CID 107547316
2-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-4-carbothioamide
CID 114127834
3-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridin-2-amine
CID 103794745
N-[2-[(4-carbamothioylpyrimidin-2-yl)amino]ethyl]acetamide
CID 107546643
2-[(2-methylcyclopentyl)methylamino]pyrimidine-4-carbothioamide
CID 107548274
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103794776

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide?
The IUPAC name of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide (CID 114112951) is 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide?
The canonical SMILES for 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide is COCCC1(CNc2nccc(C(N)=S)n2)CC1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide?
The InChIKey is KIVJUMVTIVYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-17-7-5-12(3-4-12)8-15-11-14-6-2-9(16-11)10(13)18/h2,6H,3-5,7-8H2,1H3,(H2,13,18)(H,14,15,16).
What are the key properties of 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide?
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide has a molecular weight of 266.37 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 114112951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).