2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

C18H23FN4O2 — CID 126442629

IUPAC2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN(Cc1ccc(F)cc1)c1cc([C@@H]2CCOC2)nc(NCCO)n1
InChIInChI=1S/C18H23FN4O2/c1-23(11-13-2-4-15(19)5-3-13)17-10-16(14-6-9-25-12-14)21-18(22-17)20-7-8-24/h2-5,10,14,24H,6-9,11-12H2,1H3,(H,20,21,22)/t14-/m1/s1
InChIKeyLZMDIPDYRYTXQK-CQSZACIVSA-N
MW346.41 g/mol
LogP2.16
Rot. Bonds7

About 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 126442629) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID126442629
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCN(Cc1ccc(F)cc1)c1cc([C@@H]2CCOC2)nc(NCCO)n1
InChIInChI=1S/C18H23FN4O2/c1-23(11-13-2-4-15(19)5-3-13)17-10-16(14-6-9-25-12-14)21-18(22-17)20-7-8-24/h2-5,10,14,24H,6-9,11-12H2,1H3,(H,20,21,22)/t14-/m1/s1
InChIKeyLZMDIPDYRYTXQK-CQSZACIVSA-N
XLogP2.16
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[4-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425716
3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol
CID 119073055
2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126437837
2-[[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425143
2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118775037
2-[[4-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 118781186
2-[[4-[methyl(oxan-4-yl)amino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060055
1-[2-[[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-methylamino]ethyl]piperidin-2-one
CID 126430569
2-[[4-(oxolan-3-yl)-6-(propan-2-ylamino)pyrimidin-2-yl]amino]ethanol
CID 119069260
4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423761
2-[[4-(cyclohexylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126430425
2-[[4-[(3R)-oxolan-3-yl]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]ethanol
CID 126451906

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (CID 126442629) is 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is CN(Cc1ccc(F)cc1)c1cc([C@@H]2CCOC2)nc(NCCO)n1.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is LZMDIPDYRYTXQK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-23(11-13-2-4-15(19)5-3-13)17-10-16(14-6-9-25-12-14)21-18(22-17)20-7-8-24/h2-5,10,14,24H,6-9,11-12H2,1H3,(H,20,21,22)/t14-/m1/s1.
What are the key properties of 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 346.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methyl-methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126442629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).