1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea

C11H14N6S — CID 134139840

IUPAC1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
SMILESCCNC(=S)Nc1cc(-n2cnc(C)c2)ncn1
InChIInChI=1S/C11H14N6S/c1-3-12-11(18)16-9-4-10(14-6-13-9)17-5-8(2)15-7-17/h4-7H,3H2,1-2H3,(H2,12,13,14,16,18)
InChIKeyVBQFNPFAZPRRKU-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.28
Rot. Bonds3

About 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea

1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea (PubChem CID 134139840) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
PubChem CID134139840
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
SMILESCCNC(=S)Nc1cc(-n2cnc(C)c2)ncn1
InChIInChI=1S/C11H14N6S/c1-3-12-11(18)16-9-4-10(14-6-13-9)17-5-8(2)15-7-17/h4-7H,3H2,1-2H3,(H2,12,13,14,16,18)
InChIKeyVBQFNPFAZPRRKU-UHFFFAOYSA-N
XLogP1.28
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.28
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

1-Ethyl-3-[6-[4-(ethylaminomethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520935
1-[6-[4-[(Cyclohexylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520936
1-[6-[4-[(Dimethylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520938
1-[6-[4-(Diethylaminomethyl)imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520939
1-Ethyl-3-[6-[4-(methylaminomethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520940
1-[6-[4-[(Dipropylamino)methyl]imidazol-1-yl]pyrimidin-4-yl]-3-ethylthiourea
CID 132520941
1-Ethyl-3-[6-[4-[(4-methylpiperazin-1-yl)methyl]imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520942
1-Ethyl-3-[6-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520944
1-Ethyl-3-[6-[4-(piperidin-1-ylmethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520945
1-Ethyl-3-[6-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520947
1-Ethyl-3-[6-(4-formylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134133669
1-Ethyl-3-[6-[4-(trifluoromethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 134135736

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea?
The IUPAC name of 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea (CID 134139840) is 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea.
What is the SMILES notation for 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea?
The canonical SMILES for 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea is CCNC(=S)Nc1cc(-n2cnc(C)c2)ncn1.
What is the InChIKey of 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea?
The InChIKey is VBQFNPFAZPRRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-3-12-11(18)16-9-4-10(14-6-13-9)17-5-8(2)15-7-17/h4-7H,3H2,1-2H3,(H2,12,13,14,16,18).
What are the key properties of 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea?
1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea has a molecular weight of 262.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-(4-methylimidazol-1-yl)pyrimidin-4-yl]thiourea is sourced from PubChem (CID 134139840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).