1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea

C10H12N6S — CID 134133048

IUPAC1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
SMILESCCNC(=S)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C10H12N6S/c1-2-11-10(17)15-8-6-9(13-7-12-8)16-5-3-4-14-16/h3-7H,2H2,1H3,(H2,11,12,13,15,17)
InChIKeySNFSZMBIUFTQHP-UHFFFAOYSA-N
MW248.32 g/mol
LogP0.97
Rot. Bonds3

About 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea

1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea (PubChem CID 134133048) has the molecular formula C10H12N6S and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
PubChem CID134133048
Molecular FormulaC10H12N6S
Molecular Weight248.32 g/mol
Exact Mass248.08
IUPAC Name1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
SMILESCCNC(=S)Nc1cc(-n2cccn2)ncn1
InChIInChI=1S/C10H12N6S/c1-2-11-10(17)15-8-6-9(13-7-12-8)16-5-3-4-14-16/h3-7H,2H2,1H3,(H2,11,12,13,15,17)
InChIKeySNFSZMBIUFTQHP-UHFFFAOYSA-N
XLogP0.97
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 50.97
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

1,3-diethyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 110915022
4-(dimethylsulfamoylamino)-6-pyrazol-1-ylpyrimidine
CID 121134990
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290694
5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
CID 72717793
2,5-dimethyl-N-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699439
1-(3-fluoro-2-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 56699143
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111216673
1-ethyl-3-propan-2-yl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111123863
2-(4-methoxyphenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290600
1-butyl-3-ethyl-1-methyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111158118
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90545831
1-ethyl-3-(3-methylbutan-2-yl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111000332

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea?
The IUPAC name of 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea (CID 134133048) is 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea.
What is the SMILES notation for 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea?
The canonical SMILES for 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea is CCNC(=S)Nc1cc(-n2cccn2)ncn1.
What is the InChIKey of 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea?
The InChIKey is SNFSZMBIUFTQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c1-2-11-10(17)15-8-6-9(13-7-12-8)16-5-3-4-14-16/h3-7H,2H2,1H3,(H2,11,12,13,15,17).
What are the key properties of 1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea?
1-ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea has a molecular weight of 248.32 g/mol, XLogP of 0.97, 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-pyrazol-1-ylpyrimidin-4-yl)thiourea is sourced from PubChem (CID 134133048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).