N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine

C15H15N5O — CID 46883988

IUPACN-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3nccnc23)cc1
InChIInChI=1S/C15H15N5O/c1-10-18-14-13(16-8-9-17-14)15(19-10)20(2)11-4-6-12(21-3)7-5-11/h4-9H,1-3H3
InChIKeyKPAORMQHSJXXIK-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.50
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine

N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine (PubChem CID 46883988) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine
PubChem CID46883988
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3nccnc23)cc1
InChIInChI=1S/C15H15N5O/c1-10-18-14-13(16-8-9-17-14)15(19-10)20(2)11-4-6-12(21-3)7-5-11/h4-9H,1-3H3
InChIKeyKPAORMQHSJXXIK-UHFFFAOYSA-N
XLogP2.50
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine (CID 46883988) is N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine is COc1ccc(N(C)c2nc(C)nc3nccnc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine?
The InChIKey is KPAORMQHSJXXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-18-14-13(16-8-9-17-14)15(19-10)20(2)11-4-6-12(21-3)7-5-11/h4-9H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine?
N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine is sourced from PubChem (CID 46883988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).