(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine

C13H15N3O2 — CID 102950866

IUPAC(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
SMILESCOc1cccc(C(N)c2cc(OC)ncn2)c1
InChIInChI=1S/C13H15N3O2/c1-17-10-5-3-4-9(6-10)13(14)11-7-12(18-2)16-8-15-11/h3-8,13H,14H2,1-2H3
InChIKeyBOODINXECAMZTQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.54
Rot. Bonds4

About (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine

(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine (PubChem CID 102950866) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
PubChem CID102950866
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
SMILESCOc1cccc(C(N)c2cc(OC)ncn2)c1
InChIInChI=1S/C13H15N3O2/c1-17-10-5-3-4-9(6-10)13(14)11-7-12(18-2)16-8-15-11/h3-8,13H,14H2,1-2H3
InChIKeyBOODINXECAMZTQ-UHFFFAOYSA-N
XLogP1.54
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
(6-methoxypyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 102950754
(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115030681
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
4-[amino-(3-methoxyphenyl)methyl]aniline
CID 116936827
(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 102951074
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
(6-methoxypyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102950671
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine?
The IUPAC name of (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine (CID 102950866) is (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine.
What is the SMILES notation for (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine?
The canonical SMILES for (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine is COc1cccc(C(N)c2cc(OC)ncn2)c1.
What is the InChIKey of (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine?
The InChIKey is BOODINXECAMZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-10-5-3-4-9(6-10)13(14)11-7-12(18-2)16-8-15-11/h3-8,13H,14H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine?
(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine has a molecular weight of 245.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine is sourced from PubChem (CID 102950866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).