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

C11H12N4O — CID 105065336

IUPAC(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine
SMILESCOc1cnccc1C(N)c1cncnc1
InChIInChI=1S/C11H12N4O/c1-16-10-6-13-3-2-9(10)11(12)8-4-14-7-15-5-8/h2-7,11H,12H2,1H3
InChIKeyPIBBLFUJLHFXJV-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.93
Rot. Bonds3

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

(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine (PubChem CID 105065336) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine
PubChem CID105065336
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine
SMILESCOc1cnccc1C(N)c1cncnc1
InChIInChI=1S/C11H12N4O/c1-16-10-6-13-3-2-9(10)11(12)8-4-14-7-15-5-8/h2-7,11H,12H2,1H3
InChIKeyPIBBLFUJLHFXJV-UHFFFAOYSA-N
XLogP0.93
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-(3-methoxy-4-pyridinyl)methanamine
CID 105065582
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
(3-cyclopropyloxyphenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066137
(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065497
(4-bromo-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066155
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 105066080
(4-fluoro-3-methoxyphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038146
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanamine
CID 105066069
1-(3-methoxy-4-pyridinyl)-2-propoxyethanamine
CID 105065820
di(pyrimidin-5-yl)methanamine
CID 102923336
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine?
The IUPAC name of (3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine (CID 105065336) is (3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine.
What is the SMILES notation for (3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine?
The canonical SMILES for (3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine is COc1cnccc1C(N)c1cncnc1.
What is the InChIKey of (3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine?
The InChIKey is PIBBLFUJLHFXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-16-10-6-13-3-2-9(10)11(12)8-4-14-7-15-5-8/h2-7,11H,12H2,1H3.
What are the key properties of (3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine?
(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine has a molecular weight of 216.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 105065336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).