N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine

C13H16N4O — CID 79150580

IUPACN-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine
SMILESCNCc1nc(C)ccc1OCc1ncccn1
InChIInChI=1S/C13H16N4O/c1-10-4-5-12(11(17-10)8-14-2)18-9-13-15-6-3-7-16-13/h3-7,14H,8-9H2,1-2H3
InChIKeyZCUUWJQZMYRRMB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.48
Rot. Bonds5

About N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine

N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine (PubChem CID 79150580) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine
PubChem CID79150580
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine
SMILESCNCc1nc(C)ccc1OCc1ncccn1
InChIInChI=1S/C13H16N4O/c1-10-4-5-12(11(17-10)8-14-2)18-9-13-15-6-3-7-16-13/h3-7,14H,8-9H2,1-2H3
InChIKeyZCUUWJQZMYRRMB-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-[[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150991
[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79158019
N-methyl-1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanamine
CID 79151107
N-methyl-1-[6-methyl-3-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 79150645
1-[3-[(4-methoxyphenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79150973
1-[3-[(3,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 82918461
1-(3-but-2-ynoxy-6-methyl-2-pyridinyl)-N-methylmethanamine
CID 79151354
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 79157121
1-[3-[(3-bromo-5-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79710901
1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79151277
1-[3-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79213878
1-[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]furan-2-yl]-N-methylmethanamine
CID 103175544

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine (CID 79150580) is N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine is CNCc1nc(C)ccc1OCc1ncccn1.
What is the InChIKey of N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine?
The InChIKey is ZCUUWJQZMYRRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-4-5-12(11(17-10)8-14-2)18-9-13-15-6-3-7-16-13/h3-7,14H,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine?
N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]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 N-methyl-1-[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 79150580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).