5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine

C12H13FN4 — CID 155795231

IUPAC5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine
SMILESC[C@@](N)(c1ccc(F)cc1)c1cnc(N)nc1
InChIInChI=1S/C12H13FN4/c1-12(15,8-2-4-10(13)5-3-8)9-6-16-11(14)17-7-9/h2-7H,15H2,1H3,(H2,14,16,17)/t12-/m1/s1
InChIKeyKXUWINFGVPSDJQ-GFCCVEGCSA-N
MW232.26 g/mol
LogP1.42
Rot. Bonds2

About 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine

5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine (PubChem CID 155795231) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine
PubChem CID155795231
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine
SMILESC[C@@](N)(c1ccc(F)cc1)c1cnc(N)nc1
InChIInChI=1S/C12H13FN4/c1-12(15,8-2-4-10(13)5-3-8)9-6-16-11(14)17-7-9/h2-7H,15H2,1H3,(H2,14,16,17)/t12-/m1/s1
InChIKeyKXUWINFGVPSDJQ-GFCCVEGCSA-N
XLogP1.42
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83124710
1-(4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 60799030
2-(4-fluorophenyl)propan-2-amine
CID 13025665
2-(2-aminopyrimidin-5-yl)propane-2-thiol
CID 123758067
1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62797468
(1R)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127925
5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine
CID 170391497
(1S)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127984
1-(3-bromophenyl)-1-(4-fluorophenyl)ethanamine
CID 54919280
1-(5-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)ethanamine
CID 83124560
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine
CID 63940931

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine (CID 155795231) is 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine is C[C@@](N)(c1ccc(F)cc1)c1cnc(N)nc1.
What is the InChIKey of 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine?
The InChIKey is KXUWINFGVPSDJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13FN4/c1-12(15,8-2-4-10(13)5-3-8)9-6-16-11(14)17-7-9/h2-7H,15H2,1H3,(H2,14,16,17)/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine?
5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine has a molecular weight of 232.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 155795231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).