2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol

C19H18FN3O — CID 163860499

IUPAC2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCc1cc(F)cc(-c2cc(NCC(O)c3ccccc3)ncn2)c1
InChIInChI=1S/C19H18FN3O/c1-13-7-15(9-16(20)8-13)17-10-19(23-12-22-17)21-11-18(24)14-5-3-2-4-6-14/h2-10,12,18,24H,11H2,1H3,(H,21,22,23)
InChIKeyPCCGVTSTJJAVRA-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.74
Rot. Bonds5

About 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol

2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 163860499) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID163860499
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
SMILESCc1cc(F)cc(-c2cc(NCC(O)c3ccccc3)ncn2)c1
InChIInChI=1S/C19H18FN3O/c1-13-7-15(9-16(20)8-13)17-10-19(23-12-22-17)21-11-18(24)14-5-3-2-4-6-14/h2-10,12,18,24H,11H2,1H3,(H,21,22,23)
InChIKeyPCCGVTSTJJAVRA-UHFFFAOYSA-N
XLogP3.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 143851560
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
CID 143851546
2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963300
1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963319
2-[[6-(3-butoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963321
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963269
2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
CID 45242537
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
CID 68992001
2-[[6-[2,4-bis(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 74950973
5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
CID 70963258

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol (CID 163860499) is 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol is Cc1cc(F)cc(-c2cc(NCC(O)c3ccccc3)ncn2)c1.
What is the InChIKey of 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is PCCGVTSTJJAVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-7-15(9-16(20)8-13)17-10-19(23-12-22-17)21-11-18(24)14-5-3-2-4-6-14/h2-10,12,18,24H,11H2,1H3,(H,21,22,23).
What are the key properties of 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol?
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 323.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 163860499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).