[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

C22H26N8O2 — CID 68777874

IUPAC[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(-c3cnc4nc(N)nc(N5CCOCC5)c4n3)c2)CC1
InChIInChI=1S/C22H26N8O2/c1-28-5-7-30(8-6-28)21(31)16-4-2-3-15(13-16)17-14-24-19-18(25-17)20(27-22(23)26-19)29-9-11-32-12-10-29/h2-4,13-14H,5-12H2,1H3,(H2,23,24,26,27)
InChIKeyHBKIYDFZJCOMEC-UHFFFAOYSA-N
MW434.50 g/mol
LogP0.89
Rot. Bonds3

About [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 68777874) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID68777874
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc(-c3cnc4nc(N)nc(N5CCOCC5)c4n3)c2)CC1
InChIInChI=1S/C22H26N8O2/c1-28-5-7-30(8-6-28)21(31)16-4-2-3-15(13-16)17-14-24-19-18(25-17)20(27-22(23)26-19)29-9-11-32-12-10-29/h2-4,13-14H,5-12H2,1H3,(H2,23,24,26,27)
InChIKeyHBKIYDFZJCOMEC-UHFFFAOYSA-N
XLogP0.89
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776110
2-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenol
CID 135617046
6-(6-fluoro-5-methyl-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68779083
6-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 11175594
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-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68775571
4-[4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 11785248
6-(4-amino-2-methylphenyl)-4-morpholin-4-ylpteridin-2-amine
CID 24794998
4-morpholin-4-yl-6-(6-piperazin-1-yl-3-pyridinyl)pteridin-2-amine
CID 68774659
6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine
CID 68777194

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 68777874) is [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccc(-c3cnc4nc(N)nc(N5CCOCC5)c4n3)c2)CC1.
What is the InChIKey of [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HBKIYDFZJCOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-28-5-7-30(8-6-28)21(31)16-4-2-3-15(13-16)17-14-24-19-18(25-17)20(27-22(23)26-19)29-9-11-32-12-10-29/h2-4,13-14H,5-12H2,1H3,(H2,23,24,26,27).
What are the key properties of [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 434.50 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 68777874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).