6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine

C19H19N7O — CID 12689759

IUPAC6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine
SMILESCOc1ccc2ccccc2c1CN(C)c1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C19H19N7O/c1-26(15-9-22-18-16(23-15)17(20)24-19(21)25-18)10-13-12-6-4-3-5-11(12)7-8-14(13)27-2/h3-9H,10H2,1-2H3,(H4,20,21,22,24,25)
InChIKeyYXLWUGFYKYZYDB-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.38
Rot. Bonds4

About 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine

6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine (PubChem CID 12689759) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine
PubChem CID12689759
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine
SMILESCOc1ccc2ccccc2c1CN(C)c1cnc2nc(N)nc(N)c2n1
InChIInChI=1S/C19H19N7O/c1-26(15-9-22-18-16(23-15)17(20)24-19(21)25-18)10-13-12-6-4-3-5-11(12)7-8-14(13)27-2/h3-9H,10H2,1-2H3,(H4,20,21,22,24,25)
InChIKeyYXLWUGFYKYZYDB-UHFFFAOYSA-N
XLogP2.38
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine?
The IUPAC name of 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine (CID 12689759) is 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine.
What is the SMILES notation for 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine?
The canonical SMILES for 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine is COc1ccc2ccccc2c1CN(C)c1cnc2nc(N)nc(N)c2n1.
What is the InChIKey of 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine?
The InChIKey is YXLWUGFYKYZYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-26(15-9-22-18-16(23-15)17(20)24-19(21)25-18)10-13-12-6-4-3-5-11(12)7-8-14(13)27-2/h3-9H,10H2,1-2H3,(H4,20,21,22,24,25).
What are the key properties of 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine?
6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine has a molecular weight of 361.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methoxynaphthalen-1-yl)methyl]-6-N-methylpteridine-2,4,6-triamine is sourced from PubChem (CID 12689759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).