4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine

C23H22N6O2 — CID 68778385

IUPAC4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccccc3OCc3ccccc3)cnc2n1
InChIInChI=1S/C23H22N6O2/c24-23-27-21-20(22(28-23)29-10-12-30-13-11-29)26-18(14-25-21)17-8-4-5-9-19(17)31-15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H2,24,25,27,28)
InChIKeyXWFILXOEXCSOMF-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.08
Rot. Bonds5

About 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine

4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine (PubChem CID 68778385) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine
PubChem CID68778385
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccccc3OCc3ccccc3)cnc2n1
InChIInChI=1S/C23H22N6O2/c24-23-27-21-20(22(28-23)29-10-12-30-13-11-29)26-18(14-25-21)17-8-4-5-9-19(17)31-15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H2,24,25,27,28)
InChIKeyXWFILXOEXCSOMF-UHFFFAOYSA-N
XLogP3.08
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenol
CID 135617046
6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine
CID 68777194
6-(2,6-dimethoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776672
6-(4-amino-2-methylphenyl)-4-morpholin-4-ylpteridin-2-amine
CID 24794998
6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776110
6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68775571
6-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68775912
6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 24794753
(2S)-2-[2-[2-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]hydrazinyl]-3-[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoic acid
CID 69049182
6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 11175594
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
4-morpholin-4-yl-6-(6-piperazin-1-yl-3-pyridinyl)pteridin-2-amine
CID 68774659

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine (CID 68778385) is 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine is Nc1nc(N2CCOCC2)c2nc(-c3ccccc3OCc3ccccc3)cnc2n1.
What is the InChIKey of 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine?
The InChIKey is XWFILXOEXCSOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c24-23-27-21-20(22(28-23)29-10-12-30-13-11-29)26-18(14-25-21)17-8-4-5-9-19(17)31-15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H2,24,25,27,28).
What are the key properties of 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine?
4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine is sourced from PubChem (CID 68778385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).