(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine

C13H15N3O — CID 115827248

IUPAC(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
SMILESCOc1cc(C(N)c2cncnc2)ccc1C
InChIInChI=1S/C13H15N3O/c1-9-3-4-10(5-12(9)17-2)13(14)11-6-15-8-16-7-11/h3-8,13H,14H2,1-2H3
InChIKeyRSVVZGACHBYZSE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.84
Rot. Bonds3

About (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine

(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine (PubChem CID 115827248) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
PubChem CID115827248
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
SMILESCOc1cc(C(N)c2cncnc2)ccc1C
InChIInChI=1S/C13H15N3O/c1-9-3-4-10(5-12(9)17-2)13(14)11-6-15-8-16-7-11/h3-8,13H,14H2,1-2H3
InChIKeyRSVVZGACHBYZSE-UHFFFAOYSA-N
XLogP1.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031995
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
CID 43186694
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
(4-chloro-3-methoxyphenyl)-(3,4-dimethylphenyl)methanamine
CID 105006817
5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186872

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine (CID 115827248) is (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine is COc1cc(C(N)c2cncnc2)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine?
The InChIKey is RSVVZGACHBYZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-4-10(5-12(9)17-2)13(14)11-6-15-8-16-7-11/h3-8,13H,14H2,1-2H3.
What are the key properties of (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine?
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine has a molecular weight of 229.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 115827248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).