(3-methoxyphenyl)-pyrimidin-4-ylmethanamine

C12H13N3O — CID 63989775

IUPAC(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
SMILESCOc1cccc(C(N)c2ccncn2)c1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-3-9(7-10)12(13)11-5-6-14-8-15-11/h2-8,12H,13H2,1H3
InChIKeyPRYGHZAYYYFWHL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.53
Rot. Bonds3

About (3-methoxyphenyl)-pyrimidin-4-ylmethanamine

(3-methoxyphenyl)-pyrimidin-4-ylmethanamine (PubChem CID 63989775) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (3-methoxyphenyl)-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound Name(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
PubChem CID63989775
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
SMILESCOc1cccc(C(N)c2ccncn2)c1
InChIInChI=1S/C12H13N3O/c1-16-10-4-2-3-9(7-10)12(13)11-5-6-14-8-15-11/h2-8,12H,13H2,1H3
InChIKeyPRYGHZAYYYFWHL-UHFFFAOYSA-N
XLogP1.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950866
(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 103395544
(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
CID 105086338
N-(3-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986634
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
(4-propan-2-yloxyphenyl)-pyrimidin-4-ylmethanamine
CID 63990391
(3-methoxyphenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115030681
(2-fluoro-3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 82807720
4-[amino-(3-methoxyphenyl)methyl]aniline
CID 116936827
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
(3-methoxypyrazin-2-yl)-pyrimidin-4-ylmethanamine
CID 104515599

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-pyrimidin-4-ylmethanamine?
The IUPAC name of (3-methoxyphenyl)-pyrimidin-4-ylmethanamine (CID 63989775) is (3-methoxyphenyl)-pyrimidin-4-ylmethanamine.
What is the SMILES notation for (3-methoxyphenyl)-pyrimidin-4-ylmethanamine?
The canonical SMILES for (3-methoxyphenyl)-pyrimidin-4-ylmethanamine is COc1cccc(C(N)c2ccncn2)c1.
What is the InChIKey of (3-methoxyphenyl)-pyrimidin-4-ylmethanamine?
The InChIKey is PRYGHZAYYYFWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-10-4-2-3-9(7-10)12(13)11-5-6-14-8-15-11/h2-8,12H,13H2,1H3.
What are the key properties of (3-methoxyphenyl)-pyrimidin-4-ylmethanamine?
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine has a molecular weight of 215.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 63989775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).