N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline

C18H18N4O — CID 39749730

IUPACN-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline
SMILESCc1ncc(CNc2ccccc2OCc2ccccn2)cn1
InChIInChI=1S/C18H18N4O/c1-14-20-10-15(11-21-14)12-22-17-7-2-3-8-18(17)23-13-16-6-4-5-9-19-16/h2-11,22H,12-13H2,1H3
InChIKeyXUIYZSFTFRVUCL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.37
Rot. Bonds6

About N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline

N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline (PubChem CID 39749730) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline
PubChem CID39749730
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline
SMILESCc1ncc(CNc2ccccc2OCc2ccccn2)cn1
InChIInChI=1S/C18H18N4O/c1-14-20-10-15(11-21-14)12-22-17-7-2-3-8-18(17)23-13-16-6-4-5-9-19-16/h2-11,22H,12-13H2,1H3
InChIKeyXUIYZSFTFRVUCL-UHFFFAOYSA-N
XLogP3.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(pyridin-2-ylmethoxy)phenyl]thiourea
CID 169357255
2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline
CID 54864900
N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
CID 72892352
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
2-propoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761631
2-methyl-3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111448684
2-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)aniline
CID 54864920
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62748401
4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 63329318
N-[(4-methylphenyl)methyl]-2-(2-phenoxyethoxy)aniline
CID 54801070

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline?
The IUPAC name of N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline (CID 39749730) is N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline.
What is the SMILES notation for N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline?
The canonical SMILES for N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline is Cc1ncc(CNc2ccccc2OCc2ccccn2)cn1.
What is the InChIKey of N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline?
The InChIKey is XUIYZSFTFRVUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-20-10-15(11-21-14)12-22-17-7-2-3-8-18(17)23-13-16-6-4-5-9-19-16/h2-11,22H,12-13H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline?
N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline has a molecular weight of 306.37 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline is sourced from PubChem (CID 39749730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).