N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine

C18H20N6O — CID 16820908

IUPACN-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc3nccnc23)cc1C
InChIInChI=1S/C18H20N6O/c1-12-3-4-14(11-13(12)2)21-17-15-16(20-6-5-19-15)22-18(23-17)24-7-9-25-10-8-24/h3-6,11H,7-10H2,1-2H3,(H,20,21,22,23)
InChIKeyYVAXZEYRDBYEEY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.62
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine

N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine (PubChem CID 16820908) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine
PubChem CID16820908
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc3nccnc23)cc1C
InChIInChI=1S/C18H20N6O/c1-12-3-4-14(11-13(12)2)21-17-15-16(20-6-5-19-15)22-18(23-17)24-7-9-25-10-8-24/h3-6,11H,7-10H2,1-2H3,(H,20,21,22,23)
InChIKeyYVAXZEYRDBYEEY-UHFFFAOYSA-N
XLogP2.62
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine (CID 16820908) is N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine is Cc1ccc(Nc2nc(N3CCOCC3)nc3nccnc23)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine?
The InChIKey is YVAXZEYRDBYEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-3-4-14(11-13(12)2)21-17-15-16(20-6-5-19-15)22-18(23-17)24-7-9-25-10-8-24/h3-6,11H,7-10H2,1-2H3,(H,20,21,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine?
N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-morpholin-4-ylpteridin-4-amine is sourced from PubChem (CID 16820908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).