N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine

C14H17FN4 — CID 104739313

IUPACN-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2ccncc2F)c1C(C)C
InChIInChI=1S/C14H17FN4/c1-4-17-14-12(9(2)3)13(18-8-19-14)10-5-6-16-7-11(10)15/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyZGYHOUAUTOENIW-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.23
Rot. Bonds4

About N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 104739313) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID104739313
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC NameN-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2ccncc2F)c1C(C)C
InChIInChI=1S/C14H17FN4/c1-4-17-14-12(9(2)3)13(18-8-19-14)10-5-6-16-7-11(10)15/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyZGYHOUAUTOENIW-UHFFFAOYSA-N
XLogP3.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine
CID 104739182
6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 115503721
6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine
CID 104739267
N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784414
6-N-ethyl-4-N-(4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761235
N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114690973
N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
N-ethyl-6-imidazo[1,2-a]pyridin-5-yl-5-propan-2-ylpyrimidin-4-amine
CID 102627295
N-ethyl-6-(3-fluoro-4-pyridinyl)pyridazin-3-amine
CID 104739269
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine (CID 104739313) is N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(-c2ccncc2F)c1C(C)C.
What is the InChIKey of N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZGYHOUAUTOENIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-4-17-14-12(9(2)3)13(18-8-19-14)10-5-6-16-7-11(10)15/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 260.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 104739313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).