5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine

C16H14FN3 — CID 141176928

IUPAC5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncncc1F)c1ccc2ccccc2c1
InChIInChI=1S/C16H14FN3/c1-11(20-16-15(17)9-18-10-19-16)13-7-6-12-4-2-3-5-14(12)8-13/h2-11H,1H3,(H,18,19,20)/t11-/m1/s1
InChIKeyURUQWSGLYZBDAR-LLVKDONJSA-N
MW267.31 g/mol
LogP3.94
Rot. Bonds3

About 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine

5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine (PubChem CID 141176928) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine
PubChem CID141176928
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncncc1F)c1ccc2ccccc2c1
InChIInChI=1S/C16H14FN3/c1-11(20-16-15(17)9-18-10-19-16)13-7-6-12-4-2-3-5-14(12)8-13/h2-11H,1H3,(H,18,19,20)/t11-/m1/s1
InChIKeyURUQWSGLYZBDAR-LLVKDONJSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 63329846
N-[1-(3-fluorophenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342562
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43103988
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393
4-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43109165
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
CID 78910611
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43107692
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
2-chloro-4-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43150506
N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
CID 107587984
N-(1-naphthalen-2-ylethyl)cyclobutanamine
CID 62415710

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine (CID 141176928) is 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine is C[C@@H](Nc1ncncc1F)c1ccc2ccccc2c1.
What is the InChIKey of 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine?
The InChIKey is URUQWSGLYZBDAR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14FN3/c1-11(20-16-15(17)9-18-10-19-16)13-7-6-12-4-2-3-5-14(12)8-13/h2-11H,1H3,(H,18,19,20)/t11-/m1/s1.
What are the key properties of 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine?
5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine has a molecular weight of 267.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R)-1-naphthalen-2-ylethyl]pyrimidin-4-amine is sourced from PubChem (CID 141176928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).