6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine

C17H20FN3O — CID 124884243

IUPAC6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)c1F
InChIInChI=1S/C17H20FN3O/c1-2-14-15(18)17(20-11-19-14)21-16(13-8-9-22-10-13)12-6-4-3-5-7-12/h3-7,11,13,16H,2,8-10H2,1H3,(H,19,20,21)/t13-,16+/m1/s1
InChIKeyGHQOFSSXASSXRV-CJNGLKHVSA-N
MW301.37 g/mol
LogP3.37
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine (PubChem CID 124884243) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine
PubChem CID124884243
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)c1F
InChIInChI=1S/C17H20FN3O/c1-2-14-15(18)17(20-11-19-14)21-16(13-8-9-22-10-13)12-6-4-3-5-7-12/h3-7,11,13,16H,2,8-10H2,1H3,(H,19,20,21)/t13-,16+/m1/s1
InChIKeyGHQOFSSXASSXRV-CJNGLKHVSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
CID 129483153
6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
CID 128979366
6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
CID 125136142
6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 113413503
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
N-[1-(4-benzylmorpholin-2-yl)propyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 133420372
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propanoic acid
CID 120964282
5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol
CID 133420036
6-ethyl-5-fluoro-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 103879965

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine (CID 124884243) is 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine is CCc1ncnc(N[C@@H](c2ccccc2)[C@@H]2CCOC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine?
The InChIKey is GHQOFSSXASSXRV-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-2-14-15(18)17(20-11-19-14)21-16(13-8-9-22-10-13)12-6-4-3-5-7-12/h3-7,11,13,16H,2,8-10H2,1H3,(H,19,20,21)/t13-,16+/m1/s1.
What are the key properties of 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine is sourced from PubChem (CID 124884243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).