6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine

C19H21N5O — CID 165425270

IUPAC6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CN(C)Cc2cccnc2)cc1-c1cc(N)ncn1
InChIInChI=1S/C19H21N5O/c1-24(12-15-4-3-7-21-10-15)11-14-5-6-18(25-2)16(8-14)17-9-19(20)23-13-22-17/h3-10,13H,11-12H2,1-2H3,(H2,20,22,23)
InChIKeyWZYSSWPWPHBYCJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.76
Rot. Bonds6

About 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine

6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine (PubChem CID 165425270) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine
PubChem CID165425270
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CN(C)Cc2cccnc2)cc1-c1cc(N)ncn1
InChIInChI=1S/C19H21N5O/c1-24(12-15-4-3-7-21-10-15)11-14-5-6-18(25-2)16(8-14)17-9-19(20)23-13-22-17/h3-10,13H,11-12H2,1-2H3,(H2,20,22,23)
InChIKeyWZYSSWPWPHBYCJ-UHFFFAOYSA-N
XLogP2.76
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]-1,2,4-triazol-1-yl]ethanol
CID 170509641
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
1-[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-4-methoxyphenyl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 172674047
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 71874191
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
CID 82300014
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
4-fluoro-5-methoxy-1-N-methyl-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 55215876
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43817991

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine (CID 165425270) is 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine is COc1ccc(CN(C)Cc2cccnc2)cc1-c1cc(N)ncn1.
What is the InChIKey of 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine?
The InChIKey is WZYSSWPWPHBYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24(12-15-4-3-7-21-10-15)11-14-5-6-18(25-2)16(8-14)17-9-19(20)23-13-22-17/h3-10,13H,11-12H2,1-2H3,(H2,20,22,23).
What are the key properties of 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine?
6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 165425270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).