2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine

C17H17N3O — CID 115506330

IUPAC2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc2cccc(Cc3nc(C)cc(N)n3)c2c1
InChIInChI=1S/C17H17N3O/c1-11-8-16(18)20-17(19-11)9-13-5-3-4-12-6-7-14(21-2)10-15(12)13/h3-8,10H,9H2,1-2H3,(H2,18,19,20)
InChIKeyLHHVLBFWPSFMKV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.12
Rot. Bonds3

About 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine

2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 115506330) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine
PubChem CID115506330
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc2cccc(Cc3nc(C)cc(N)n3)c2c1
InChIInChI=1S/C17H17N3O/c1-11-8-16(18)20-17(19-11)9-13-5-3-4-12-6-7-14(21-2)10-15(12)13/h3-8,10H,9H2,1-2H3,(H2,18,19,20)
InChIKeyLHHVLBFWPSFMKV-UHFFFAOYSA-N
XLogP3.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine (CID 115506330) is 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine is COc1ccc2cccc(Cc3nc(C)cc(N)n3)c2c1.
What is the InChIKey of 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is LHHVLBFWPSFMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-8-16(18)20-17(19-11)9-13-5-3-4-12-6-7-14(21-2)10-15(12)13/h3-8,10H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine?
2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxynaphthalen-1-yl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 115506330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).