(4-methoxy-6-phenylpyrimidin-5-yl)methanamine

C12H13N3O — CID 105468562

IUPAC(4-methoxy-6-phenylpyrimidin-5-yl)methanamine
SMILESCOc1ncnc(-c2ccccc2)c1CN
InChIInChI=1S/C12H13N3O/c1-16-12-10(7-13)11(14-8-15-12)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3
InChIKeyOIVDBZDLOLQJPS-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.61
Rot. Bonds3

About (4-methoxy-6-phenylpyrimidin-5-yl)methanamine

(4-methoxy-6-phenylpyrimidin-5-yl)methanamine (PubChem CID 105468562) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (4-methoxy-6-phenylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-6-phenylpyrimidin-5-yl)methanamine
PubChem CID105468562
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(4-methoxy-6-phenylpyrimidin-5-yl)methanamine
SMILESCOc1ncnc(-c2ccccc2)c1CN
InChIInChI=1S/C12H13N3O/c1-16-12-10(7-13)11(14-8-15-12)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3
InChIKeyOIVDBZDLOLQJPS-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
CID 12597618
5-bromo-2-(5-bromo-6-methoxypyrimidin-4-yl)-4-phenylpyrimidine
CID 123212797
CID 88687788
CID 88687788
(2-methoxy-4-methyl-3-pyridinyl)methanamine
CID 78992169
8-methoxy-6-phenyl-7H-purine
CID 11390499
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
methanamine;4-phenylbenzo[h]quinazoline
CID 154692621
(2-methoxy-4-phenyl-3-pyridinyl)methanol
CID 131571505
2-methoxy-5-methyl-3-phenylpyrazine
CID 13123635
2-methoxy-3,5-diphenylpyrazine
CID 13123633
4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 90488473
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 43552093

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6-phenylpyrimidin-5-yl)methanamine?
The IUPAC name of (4-methoxy-6-phenylpyrimidin-5-yl)methanamine (CID 105468562) is (4-methoxy-6-phenylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (4-methoxy-6-phenylpyrimidin-5-yl)methanamine?
The canonical SMILES for (4-methoxy-6-phenylpyrimidin-5-yl)methanamine is COc1ncnc(-c2ccccc2)c1CN.
What is the InChIKey of (4-methoxy-6-phenylpyrimidin-5-yl)methanamine?
The InChIKey is OIVDBZDLOLQJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-12-10(7-13)11(14-8-15-12)9-5-3-2-4-6-9/h2-6,8H,7,13H2,1H3.
What are the key properties of (4-methoxy-6-phenylpyrimidin-5-yl)methanamine?
(4-methoxy-6-phenylpyrimidin-5-yl)methanamine has a molecular weight of 215.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-6-phenylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 105468562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).