1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol

C15H20N4O2 — CID 158905883

IUPAC1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
SMILESCN(C)CC(O)COc1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C15H20N4O2/c1-19(2)10-13(20)11-21-14-6-4-12(5-7-14)18-15-16-8-3-9-17-15/h3-9,13,20H,10-11H2,1-2H3,(H,16,17,18)
InChIKeyJGAPMOJUYBSZMU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.52
Rot. Bonds7

About 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol

1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol (PubChem CID 158905883) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
PubChem CID158905883
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
SMILESCN(C)CC(O)COc1ccc(Nc2ncccn2)cc1
InChIInChI=1S/C15H20N4O2/c1-19(2)10-13(20)11-21-14-6-4-12(5-7-14)18-15-16-8-3-9-17-15/h3-9,13,20H,10-11H2,1-2H3,(H,16,17,18)
InChIKeyJGAPMOJUYBSZMU-UHFFFAOYSA-N
XLogP1.52
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea
CID 94818055
4-anilino-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidine-5-carboxylic acid
CID 18186473
1-(dimethylamino)-3-[4-[[4-[2-fluoro-5-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]phenoxy]propan-2-ol
CID 6538997
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-[4-[[4-anilino-5-(ethoxymethyl)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol;dihydrochloride
CID 18186500
1-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 95045659
1-(dimethylamino)-3-[4-[(4-ethylphenyl)methylamino]phenoxy]propan-2-ol
CID 111336525
1-[4-[(2-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336516
2-(2,5-dichloro-N-[2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidin-4-yl]anilino)acetonitrile
CID 6538998
1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol
CID 111336489
1-[4-[(4-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336503
1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
CID 94813696

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol (CID 158905883) is 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol is CN(C)CC(O)COc1ccc(Nc2ncccn2)cc1.
What is the InChIKey of 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol?
The InChIKey is JGAPMOJUYBSZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19(2)10-13(20)11-21-14-6-4-12(5-7-14)18-15-16-8-3-9-17-15/h3-9,13,20H,10-11H2,1-2H3,(H,16,17,18).
What are the key properties of 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol?
1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol has a molecular weight of 288.35 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol is sourced from PubChem (CID 158905883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).