4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine

C13H14FN3O — CID 67256517

IUPAC4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc([C@@H](C)Oc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-9(12-6-7-16-13(15-2)17-12)18-11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H,15,16,17)/t9-/m1/s1
InChIKeyROEGYAPUJFAAPT-SECBINFHSA-N
MW247.27 g/mol
LogP2.80
Rot. Bonds4

About 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine

4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine (PubChem CID 67256517) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine
PubChem CID67256517
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc([C@@H](C)Oc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-9(12-6-7-16-13(15-2)17-12)18-11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H,15,16,17)/t9-/m1/s1
InChIKeyROEGYAPUJFAAPT-SECBINFHSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(3-fluorophenoxy)ethyl]-N,N-dimethylpyridin-2-amine
CID 70872801
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
1-[5-[1-(3-fluorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854157
N-(3-fluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317996
4-chloro-6-(3-fluorophenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80870186
2-(3-fluorophenoxy)-N-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 86857457
N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62321474
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683
2-chloro-4-(3-fluorophenoxy)pyrimidine
CID 53486075
N-(3-fluorophenoxy)methanamine
CID 117126743
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
N'-[7-[(1S)-1-(3-fluorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 7093967

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine (CID 67256517) is 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine is CNc1nccc([C@@H](C)Oc2cccc(F)c2)n1.
What is the InChIKey of 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine?
The InChIKey is ROEGYAPUJFAAPT-SECBINFHSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9(12-6-7-16-13(15-2)17-12)18-11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H,15,16,17)/t9-/m1/s1.
What are the key properties of 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine?
4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 67256517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).