N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine

C15H20FN3S — CID 133419353

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(c2cccs2)C(C)(C)C)c1F
InChIInChI=1S/C15H20FN3S/c1-5-10-12(16)14(18-9-17-10)19-13(15(2,3)4)11-7-6-8-20-11/h6-9,13H,5H2,1-4H3,(H,17,18,19)
InChIKeyBHGGKLIXHVOTEB-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.44
Rot. Bonds4

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133419353) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133419353
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC(c2cccs2)C(C)(C)C)c1F
InChIInChI=1S/C15H20FN3S/c1-5-10-12(16)14(18-9-17-10)19-13(15(2,3)4)11-7-6-8-20-11/h6-9,13H,5H2,1-4H3,(H,17,18,19)
InChIKeyBHGGKLIXHVOTEB-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-methylpyrimidin-4-amine
CID 133349963
N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133421743
5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80807668
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349942
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216
N-[(4-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045737
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061059
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
CID 133495880
N'-(1,3-benzothiazol-2-yl)-N-(6-ethyl-5-fluoropyrimidin-4-yl)ethane-1,2-diamine
CID 133418455

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine (CID 133419353) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC(c2cccs2)C(C)(C)C)c1F.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is BHGGKLIXHVOTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-5-10-12(16)14(18-9-17-10)19-13(15(2,3)4)11-7-6-8-20-11/h6-9,13H,5H2,1-4H3,(H,17,18,19).
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 293.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133419353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).