1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol

C20H21FN4O — CID 75603265

IUPAC1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(-c2cc(NCC(N)c3ccccc3)ncn2)cc1F
InChIInChI=1S/C20H21FN4O/c1-13(26)16-8-7-15(9-17(16)21)19-10-20(25-12-24-19)23-11-18(22)14-5-3-2-4-6-14/h2-10,12-13,18,26H,11,22H2,1H3,(H,23,24,25)
InChIKeyPQRZFDJDYVJBRE-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol

1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol (PubChem CID 75603265) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol
PubChem CID75603265
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol
SMILESCC(O)c1ccc(-c2cc(NCC(N)c3ccccc3)ncn2)cc1F
InChIInChI=1S/C20H21FN4O/c1-13(26)16-8-7-15(9-17(16)21)19-10-20(25-12-24-19)23-11-18(22)14-5-3-2-4-6-14/h2-10,12-13,18,26H,11,22H2,1H3,(H,23,24,25)
InChIKeyPQRZFDJDYVJBRE-UHFFFAOYSA-N
XLogP3.45
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol with MolForge

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Related Compounds

(1R)-N'-[6-(4-ethoxy-3-fluorophenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine
CID 67967770
N'-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine;hydrochloride
CID 140584023
2-fluoro-4-[6-[[(2R)-2-hydroxy-2-phenylethyl]amino]pyrimidin-4-yl]phenol
CID 143851546
(1R)-N'-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-phenylethane-1,2-diamine
CID 51038074
1-phenyl-N'-[6-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-yl]ethane-1,2-diamine
CID 75602758
(1R)-1-phenyl-N'-[6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]ethane-1,2-diamine;hydrochloride
CID 140584015
(1R)-N'-[6-[3-(1,1,2,2,2-pentafluoroethyl)-1,2-benzoxazol-6-yl]pyrimidin-4-yl]-1-phenylethane-1,2-diamine
CID 51038073
2-[[6-(3-fluoro-5-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 163860499
1-phenyl-2-[[6-(4-propan-2-ylsulfanylphenyl)pyrimidin-4-yl]amino]ethanol
CID 70963319
2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963300
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol?
The IUPAC name of 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol (CID 75603265) is 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol?
The canonical SMILES for 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol is CC(O)c1ccc(-c2cc(NCC(N)c3ccccc3)ncn2)cc1F.
What is the InChIKey of 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol?
The InChIKey is PQRZFDJDYVJBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13(26)16-8-7-15(9-17(16)21)19-10-20(25-12-24-19)23-11-18(22)14-5-3-2-4-6-14/h2-10,12-13,18,26H,11,22H2,1H3,(H,23,24,25).
What are the key properties of 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol?
1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol has a molecular weight of 352.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(2-amino-2-phenylethyl)amino]pyrimidin-4-yl]-2-fluorophenyl]ethanol is sourced from PubChem (CID 75603265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).