N-methyl-2-pyrimidin-2-ylaniline

C11H11N3 — CID 143958404

IUPACN-methyl-2-pyrimidin-2-ylaniline
SMILESCNc1ccccc1-c1ncccn1
InChIInChI=1S/C11H11N3/c1-12-10-6-3-2-5-9(10)11-13-7-4-8-14-11/h2-8,12H,1H3
InChIKeyPNXQRTIUACSAGV-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.19
Rot. Bonds2

About N-methyl-2-pyrimidin-2-ylaniline

N-methyl-2-pyrimidin-2-ylaniline (PubChem CID 143958404) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-methyl-2-pyrimidin-2-ylaniline.

Molecular Properties

Compound NameN-methyl-2-pyrimidin-2-ylaniline
PubChem CID143958404
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC NameN-methyl-2-pyrimidin-2-ylaniline
SMILESCNc1ccccc1-c1ncccn1
InChIInChI=1S/C11H11N3/c1-12-10-6-3-2-5-9(10)11-13-7-4-8-14-11/h2-8,12H,1H3
InChIKeyPNXQRTIUACSAGV-UHFFFAOYSA-N
XLogP2.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-[2-(methylamino)phenyl]phenyl]aniline
CID 123674642
2-(2,3-difluoro-4-pyridinyl)-N-methylaniline
CID 154001326
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-N-methylaniline
CID 139456017
1-(2-pyrimidin-2-ylphenyl)ethanone
CID 55262820
2-fluoro-N-methylpyridin-3-amine
CID 66665252
2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine
CID 169050093
2-pyrimidin-2-ylbenzeneselenol
CID 160591809
2-pyrimidin-2-ylphenol;zinc
CID 161346901
ethane;N-methyl-2-(2-phosphanylphenyl)aniline
CID 142319745
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-methylaniline
CID 60680940
3-N-methyl-2-N,2-N-di(propan-2-yl)pyridine-2,3-diamine
CID 119054055
2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine
CID 19708402

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrimidin-2-ylaniline?
The IUPAC name of N-methyl-2-pyrimidin-2-ylaniline (CID 143958404) is N-methyl-2-pyrimidin-2-ylaniline.
What is the SMILES notation for N-methyl-2-pyrimidin-2-ylaniline?
The canonical SMILES for N-methyl-2-pyrimidin-2-ylaniline is CNc1ccccc1-c1ncccn1.
What is the InChIKey of N-methyl-2-pyrimidin-2-ylaniline?
The InChIKey is PNXQRTIUACSAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-12-10-6-3-2-5-9(10)11-13-7-4-8-14-11/h2-8,12H,1H3.
What are the key properties of N-methyl-2-pyrimidin-2-ylaniline?
N-methyl-2-pyrimidin-2-ylaniline has a molecular weight of 185.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrimidin-2-ylaniline is sourced from PubChem (CID 143958404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).