1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C12H14N4O — CID 105118973

IUPAC1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cccnc1OC
InChIInChI=1S/C12H14N4O/c1-13-11(9-6-14-8-15-7-9)10-4-3-5-16-12(10)17-2/h3-8,11,13H,1-2H3
InChIKeyBQEMQJSBWNZFCU-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.19
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 105118973) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID105118973
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cccnc1OC
InChIInChI=1S/C12H14N4O/c1-13-11(9-6-14-8-15-7-9)10-4-3-5-16-12(10)17-2/h3-8,11,13H,1-2H3
InChIKeyBQEMQJSBWNZFCU-UHFFFAOYSA-N
XLogP1.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-3-pyridinyl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105176174
1-(3,5-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105097099
1-(3,5-difluorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142067
1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142640
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094747
(1R)-1-(2-methoxy-3-pyridinyl)-N-methylethanamine
CID 55276659
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105174824
1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827566
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105178585
1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103444180
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105183926
1-(2,3-dihydrofuran-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 102653191

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 105118973) is 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1cccnc1OC.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is BQEMQJSBWNZFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-13-11(9-6-14-8-15-7-9)10-4-3-5-16-12(10)17-2/h3-8,11,13H,1-2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 230.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 105118973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).