(1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol

C12H16FN3O — CID 120580394

IUPAC(1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol
SMILESO[C@@H](CNC1=NCCCN1)c1ccc(F)cc1
InChIInChI=1S/C12H16FN3O/c13-10-4-2-9(3-5-10)11(17)8-16-12-14-6-1-7-15-12/h2-5,11,17H,1,6-8H2,(H2,14,15,16)/t11-/m0/s1
InChIKeyOHRYHGOXAHLECQ-NSHDSACASA-N
MW237.28 g/mol
LogP0.80
Rot. Bonds3

About (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol

(1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol (PubChem CID 120580394) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol
PubChem CID120580394
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name(1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol
SMILESO[C@@H](CNC1=NCCCN1)c1ccc(F)cc1
InChIInChI=1S/C12H16FN3O/c13-10-4-2-9(3-5-10)11(17)8-16-12-14-6-1-7-15-12/h2-5,11,17H,1,6-8H2,(H2,14,15,16)/t11-/m0/s1
InChIKeyOHRYHGOXAHLECQ-NSHDSACASA-N
XLogP0.80
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichlorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol;hydroiodide
CID 111428460
N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914117
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
N-[2-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241763
N-[2-(2,5-difluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111573054
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine
CID 110913670
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112962
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110914146
N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465522
N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111824393
2-N,2-N-dimethyl-3-phenyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine;hydroiodide
CID 110913703

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol (CID 120580394) is (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol is O[C@@H](CNC1=NCCCN1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol?
The InChIKey is OHRYHGOXAHLECQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-4-2-9(3-5-10)11(17)8-16-12-14-6-1-7-15-12/h2-5,11,17H,1,6-8H2,(H2,14,15,16)/t11-/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol?
(1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol has a molecular weight of 237.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethanol is sourced from PubChem (CID 120580394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).