[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone

C21H23N7O3 — CID 68775123

IUPAC[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc(C(=O)N4CCOCC4)cc3)cnc2n1
InChIInChI=1S/C21H23N7O3/c22-21-25-18-17(19(26-21)27-5-9-30-10-6-27)24-16(13-23-18)14-1-3-15(4-2-14)20(29)28-7-11-31-12-8-28/h1-4,13H,5-12H2,(H2,22,23,25,26)
InChIKeyAFECKDKDORPZBL-UHFFFAOYSA-N
MW421.46 g/mol
LogP0.98
Rot. Bonds3

About [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone

[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 68775123) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID68775123
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc(C(=O)N4CCOCC4)cc3)cnc2n1
InChIInChI=1S/C21H23N7O3/c22-21-25-18-17(19(26-21)27-5-9-30-10-6-27)24-16(13-23-18)14-1-3-15(4-2-14)20(29)28-7-11-31-12-8-28/h1-4,13H,5-12H2,(H2,22,23,25,26)
InChIKeyAFECKDKDORPZBL-UHFFFAOYSA-N
XLogP0.98
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 68777874
6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776110
6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 11175594
4-morpholin-4-yl-6-(6-piperazin-1-yl-3-pyridinyl)pteridin-2-amine
CID 68774659
2-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenol
CID 135617046
6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 24794753
6-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68775912
6-(6-fluoro-5-methyl-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68779083
4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 11785248
tert-butyl N-[(2S)-1-[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 68776658
6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68775571
6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine
CID 68777194

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone (CID 68775123) is [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone is Nc1nc(N2CCOCC2)c2nc(-c3ccc(C(=O)N4CCOCC4)cc3)cnc2n1.
What is the InChIKey of [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is AFECKDKDORPZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c22-21-25-18-17(19(26-21)27-5-9-30-10-6-27)24-16(13-23-18)14-1-3-15(4-2-14)20(29)28-7-11-31-12-8-28/h1-4,13H,5-12H2,(H2,22,23,25,26).
What are the key properties of [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone?
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 421.46 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 68775123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).