1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol

C17H23FN4O2 — CID 110019576

IUPAC1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCN(Cc1cnc(N(C)C)nc1)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C17H23FN4O2/c1-21(2)17-19-8-13(9-20-17)10-22(3)11-15(23)12-24-16-6-4-14(18)5-7-16/h4-9,15,23H,10-12H2,1-3H3
InChIKeyOBFYZLVWZQWXSY-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.55
Rot. Bonds8

About 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol

1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 110019576) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
PubChem CID110019576
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
SMILESCN(Cc1cnc(N(C)C)nc1)CC(O)COc1ccc(F)cc1
InChIInChI=1S/C17H23FN4O2/c1-21(2)17-19-8-13(9-20-17)10-22(3)11-15(23)12-24-16-6-4-14(18)5-7-16/h4-9,15,23H,10-12H2,1-3H3
InChIKeyOBFYZLVWZQWXSY-UHFFFAOYSA-N
XLogP1.55
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110878823
(2R)-1-[benzyl(methyl)amino]-3-[4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]propan-2-ol
CID 26323939
1-[(4-fluorophenyl)methyl-methylamino]-3-(4-phenyldiazenylphenoxy)propan-2-ol
CID 175691841
1-(4-fluorophenoxy)-3-[(2-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 110877418
1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110898444
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 110929749
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 55346663
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 134001793
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]-N,2-dimethylpropanamide
CID 111635190

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol (CID 110019576) is 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol is CN(Cc1cnc(N(C)C)nc1)CC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is OBFYZLVWZQWXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-21(2)17-19-8-13(9-20-17)10-22(3)11-15(23)12-24-16-6-4-14(18)5-7-16/h4-9,15,23H,10-12H2,1-3H3.
What are the key properties of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol?
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 334.40 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl-methylamino]-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 110019576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).