2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol

C18H16FN3O2 — CID 143851546

IUPAC2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1F
InChIInChI=1S/C18H16FN3O2/c19-14-8-13(6-7-16(14)23)15-9-18(22-11-21-15)20-10-17(24)12-4-2-1-3-5-12/h1-9,11,17,23-24H,10H2,(H,20,21,22)/t17-/m0/s1
InChIKeyBBCVNNGHRPDLPM-KRWDZBQOSA-N
MW325.34 g/mol
LogP3.13
Rot. Bonds5

About 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol

2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol (PubChem CID 143851546) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
PubChem CID143851546
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1F
InChIInChI=1S/C18H16FN3O2/c19-14-8-13(6-7-16(14)23)15-9-18(22-11-21-15)20-10-17(24)12-4-2-1-3-5-12/h1-9,11,17,23-24H,10H2,(H,20,21,22)/t17-/m0/s1
InChIKeyBBCVNNGHRPDLPM-KRWDZBQOSA-N
XLogP3.13
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 68993273
4-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]benzenesulfonamide
CID 68992001
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
1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol
CID 75603265
5-[6-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]pyridine-2-carbonitrile
CID 70963258
2-[[6-(3-methyl-1,2-benzoxazol-6-yl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963269
2-[[6-(3-butoxyphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963321
(1R)-2-[[6-(2,4-dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 143851560
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779514
(1R)-N'-[6-(4-ethoxy-3-fluorophenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine
CID 67967770

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol?
The IUPAC name of 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol (CID 143851546) is 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol?
The canonical SMILES for 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol is Oc1ccc(-c2cc(NC[C@H](O)c3ccccc3)ncn2)cc1F.
What is the InChIKey of 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol?
The InChIKey is BBCVNNGHRPDLPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-8-13(6-7-16(14)23)15-9-18(22-11-21-15)20-10-17(24)12-4-2-1-3-5-12/h1-9,11,17,23-24H,10H2,(H,20,21,22)/t17-/m0/s1.
What are the key properties of 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol?
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol has a molecular weight of 325.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 143851546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).