6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine

C12H18FN3O — CID 113413503

IUPAC6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCC2CCOC2)c1F
InChIInChI=1S/C12H18FN3O/c1-2-10-11(13)12(16-8-15-10)14-5-3-9-4-6-17-7-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyQRCKMZHDTZTTFA-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.02
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 113413503) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
PubChem CID113413503
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCC2CCOC2)c1F
InChIInChI=1S/C12H18FN3O/c1-2-10-11(13)12(16-8-15-10)14-5-3-9-4-6-17-7-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyQRCKMZHDTZTTFA-UHFFFAOYSA-N
XLogP2.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-6-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103634945
6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
CID 125136142
3,5-dichloro-2-N-methyl-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 114131325
6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine
CID 124884243
2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114131301
5-nitro-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114131309
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708
6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 114045642
N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 106127963
3,5-difluoro-6-N-[2-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 114131324
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
6-N,2,5-trimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114131306

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine (CID 113413503) is 6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine is CCc1ncnc(NCCC2CCOC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is QRCKMZHDTZTTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-10-11(13)12(16-8-15-10)14-5-3-9-4-6-17-7-9/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 239.29 g/mol, XLogP of 2.02, 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-[2-(oxolan-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 113413503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).