1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol

C19H24N8O3 — CID 19861844

IUPAC1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol
SMILESNc1nc(N)c2nc(-c3ccc(OCC(O)CN4CCOCC4)cc3)c(N)nc2n1
InChIInChI=1S/C19H24N8O3/c20-16-14(23-15-17(21)25-19(22)26-18(15)24-16)11-1-3-13(4-2-11)30-10-12(28)9-27-5-7-29-8-6-27/h1-4,12,28H,5-10H2,(H6,20,21,22,24,25,26)
InChIKeyVJCSYIZREJSUFT-UHFFFAOYSA-N
MW412.45 g/mol
LogP-0.09
Rot. Bonds6

About 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol

1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol (PubChem CID 19861844) has the molecular formula C19H24N8O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol
PubChem CID19861844
Molecular FormulaC19H24N8O3
Molecular Weight412.45 g/mol
Exact Mass412.20
IUPAC Name1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol
SMILESNc1nc(N)c2nc(-c3ccc(OCC(O)CN4CCOCC4)cc3)c(N)nc2n1
InChIInChI=1S/C19H24N8O3/c20-16-14(23-15-17(21)25-19(22)26-18(15)24-16)11-1-3-13(4-2-11)30-10-12(28)9-27-5-7-29-8-6-27/h1-4,12,28H,5-10H2,(H6,20,21,22,24,25,26)
InChIKeyVJCSYIZREJSUFT-UHFFFAOYSA-N
XLogP-0.09
TPSA171.55 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
1-morpholin-4-yl-3-[4-(thiadiazol-4-yl)phenoxy]propan-2-ol
CID 2740135
(2S)-1-(3,4-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 692870
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol (CID 19861844) is 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol is Nc1nc(N)c2nc(-c3ccc(OCC(O)CN4CCOCC4)cc3)c(N)nc2n1.
What is the InChIKey of 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol?
The InChIKey is VJCSYIZREJSUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O3/c20-16-14(23-15-17(21)25-19(22)26-18(15)24-16)11-1-3-13(4-2-11)30-10-12(28)9-27-5-7-29-8-6-27/h1-4,12,28H,5-10H2,(H6,20,21,22,24,25,26).
What are the key properties of 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol?
1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol has a molecular weight of 412.45 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 19861844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).