1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

C13H16N4O — CID 62747167

IUPAC1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCOc1ncccc1CNCc1ccnc(C)n1
InChIInChI=1S/C13H16N4O/c1-10-15-7-5-12(17-10)9-14-8-11-4-3-6-16-13(11)18-2/h3-7,14H,8-9H2,1-2H3
InChIKeyUQPUPZSBIOWUNU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.48
Rot. Bonds5

About 1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine

1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (PubChem CID 62747167) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
PubChem CID62747167
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
SMILESCOc1ncccc1CNCc1ccnc(C)n1
InChIInChI=1S/C13H16N4O/c1-10-15-7-5-12(17-10)9-14-8-11-4-3-6-16-13(11)18-2/h3-7,14H,8-9H2,1-2H3
InChIKeyUQPUPZSBIOWUNU-UHFFFAOYSA-N
XLogP1.48
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 61016172
3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894370
1-(2-methylpyrimidin-4-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 60960956
1-(2-methylpyrimidin-4-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66413703
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 107914372
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180399
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 63984677

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine (CID 62747167) is 1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine is COc1ncccc1CNCc1ccnc(C)n1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
The InChIKey is UQPUPZSBIOWUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-15-7-5-12(17-10)9-14-8-11-4-3-6-16-13(11)18-2/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine?
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine has a molecular weight of 244.30 g/mol, XLogP of 1.48, 5 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-[(2-methylpyrimidin-4-yl)methyl]methanamine is sourced from PubChem (CID 62747167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).