4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride

C8H10FN3OS — CID 89106574

IUPAC4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride
SMILESCCNc1nc(SC)ncc1C(=O)F
InChIInChI=1S/C8H10FN3OS/c1-3-10-7-5(6(9)13)4-11-8(12-7)14-2/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyRHOOBIKSKQWVQM-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.74
Rot. Bonds4

About 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride

4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride (PubChem CID 89106574) has the molecular formula C8H10FN3OS and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride.

Molecular Properties

Compound Name4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride
PubChem CID89106574
Molecular FormulaC8H10FN3OS
Molecular Weight215.25 g/mol
Exact Mass215.05
IUPAC Name4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride
SMILESCCNc1nc(SC)ncc1C(=O)F
InChIInChI=1S/C8H10FN3OS/c1-3-10-7-5(6(9)13)4-11-8(12-7)14-2/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyRHOOBIKSKQWVQM-UHFFFAOYSA-N
XLogP1.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
CID 295769
2-(Methylthio)-5-pyrimidinecarbaldehyde
CID 3151865
4-Amino-2-[(2,2-Dimethylpropyl)amino]pyrimidine-5-Carboxamide
CID 118796829
4-Amino-2-cyclopentylsulfanylpyrimidine-5-carboxamide
CID 70692123
2-(2-Aminoethylamino)-4-(methylamino)pyrimidine-5-carboxamide
CID 70981182
1-(4-Amino-2-methylsulfanyl-pyrimidin-5-yl)-ethanone
CID 11183013
4-Amino-2-(methylamino)pyrimidine-5-carboxamide
CID 112692990
2,4-Bis(2,2-dimethylpropylamino)pyrimidine-5-carboxamide
CID 172452986
4-(Tert-butylamino)-2-(2,2-dimethylpropylamino)pyrimidine-5-carboxamide
CID 172454411
5-Pyrimidinecarboxaldehyde, 4-fluoro-2-(methylthio)-
CID 10080835
7-(Ethylthio)pyrimido[4,5-d]pyrimidin-4(3H)-one
CID 135424359
Ethyl 4-(methylamino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
CID 295697

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride?
The IUPAC name of 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride (CID 89106574) is 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride.
What is the SMILES notation for 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride?
The canonical SMILES for 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride is CCNc1nc(SC)ncc1C(=O)F.
What is the InChIKey of 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride?
The InChIKey is RHOOBIKSKQWVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3OS/c1-3-10-7-5(6(9)13)4-11-8(12-7)14-2/h4H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride?
4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride has a molecular weight of 215.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-methylsulfanylpyrimidine-5-carbonyl fluoride is sourced from PubChem (CID 89106574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).