5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one

C19H18N6O2 — CID 68773160

IUPAC5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)CCC4=O)cnc2n1
InChIInChI=1S/C19H18N6O2/c20-19-23-17-16(18(24-19)25-5-7-27-8-6-25)22-14(10-21-17)12-1-3-13-11(9-12)2-4-15(13)26/h1,3,9-10H,2,4-8H2,(H2,20,21,23,24)
InChIKeyUKMUYHRWINLNHC-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.63
Rot. Bonds2

About 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one

5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one (PubChem CID 68773160) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one
PubChem CID68773160
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one
SMILESNc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)CCC4=O)cnc2n1
InChIInChI=1S/C19H18N6O2/c20-19-23-17-16(18(24-19)25-5-7-27-8-6-25)22-14(10-21-17)12-1-3-13-11(9-12)2-4-15(13)26/h1,3,9-10H,2,4-8H2,(H2,20,21,23,24)
InChIKeyUKMUYHRWINLNHC-UHFFFAOYSA-N
XLogP1.63
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776110
[4-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123
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-(6-fluoro-5-methyl-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68779083
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
[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 68777874
6-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68775912
6-(2,6-dimethoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776672

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one (CID 68773160) is 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one is Nc1nc(N2CCOCC2)c2nc(-c3ccc4c(c3)CCC4=O)cnc2n1.
What is the InChIKey of 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one?
The InChIKey is UKMUYHRWINLNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c20-19-23-17-16(18(24-19)25-5-7-27-8-6-25)22-14(10-21-17)12-1-3-13-11(9-12)2-4-15(13)26/h1,3,9-10H,2,4-8H2,(H2,20,21,23,24).
What are the key properties of 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one?
5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one has a molecular weight of 362.39 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 68773160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).