6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine

C16H16ClN7O — CID 68777194

IUPAC6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3cc(Cl)ccc3N)cnc2n1
InChIInChI=1S/C16H16ClN7O/c17-9-1-2-11(18)10(7-9)12-8-20-14-13(21-12)15(23-16(19)22-14)24-3-5-25-6-4-24/h1-2,7-8H,3-6,18H2,(H2,19,20,22,23)
InChIKeyUDTJBOSSZOBLBN-UHFFFAOYSA-N
MW357.81 g/mol
LogP1.74
Rot. Bonds2

About 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine

6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine (PubChem CID 68777194) has the molecular formula C16H16ClN7O and a molecular weight of 357.81 g/mol. Its IUPAC name is 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine.

Molecular Properties

Compound Name6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine
PubChem CID68777194
Molecular FormulaC16H16ClN7O
Molecular Weight357.81 g/mol
Exact Mass357.11
IUPAC Name6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine
SMILESNc1nc(N2CCOCC2)c2nc(-c3cc(Cl)ccc3N)cnc2n1
InChIInChI=1S/C16H16ClN7O/c17-9-1-2-11(18)10(7-9)12-8-20-14-13(21-12)15(23-16(19)22-14)24-3-5-25-6-4-24/h1-2,7-8H,3-6,18H2,(H2,19,20,22,23)
InChIKeyUDTJBOSSZOBLBN-UHFFFAOYSA-N
XLogP1.74
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenol
CID 135617046
6-(4-amino-2-methylphenyl)-4-morpholin-4-ylpteridin-2-amine
CID 24794998
6-(2,6-dimethoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776672
6-(5-methylfuran-2-yl)-4-morpholin-4-ylpteridin-2-amine
CID 68775571
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
5-(2-amino-4-morpholin-4-ylpteridin-6-yl)-2,3-dihydroinden-1-one
CID 68773160
4-morpholin-4-yl-6-(2-phenylmethoxyphenyl)pteridin-2-amine
CID 68778385
6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776110
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-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-morpholin-4-ylmethanone
CID 68775123

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine?
The IUPAC name of 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine (CID 68777194) is 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine.
What is the SMILES notation for 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine?
The canonical SMILES for 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine is Nc1nc(N2CCOCC2)c2nc(-c3cc(Cl)ccc3N)cnc2n1.
What is the InChIKey of 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine?
The InChIKey is UDTJBOSSZOBLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O/c17-9-1-2-11(18)10(7-9)12-8-20-14-13(21-12)15(23-16(19)22-14)24-3-5-25-6-4-24/h1-2,7-8H,3-6,18H2,(H2,19,20,22,23).
What are the key properties of 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine?
6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine has a molecular weight of 357.81 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-chlorophenyl)-4-morpholin-4-ylpteridin-2-amine is sourced from PubChem (CID 68777194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).