5-chloro-N-methyl-2-pyrimidin-5-ylaniline

C11H10ClN3 — CID 123832695

IUPAC5-chloro-N-methyl-2-pyrimidin-5-ylaniline
SMILESCNc1cc(Cl)ccc1-c1cncnc1
InChIInChI=1S/C11H10ClN3/c1-13-11-4-9(12)2-3-10(11)8-5-14-7-15-6-8/h2-7,13H,1H3
InChIKeyRCBYIPSTXCSJNU-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.84
Rot. Bonds2

About 5-chloro-N-methyl-2-pyrimidin-5-ylaniline

5-chloro-N-methyl-2-pyrimidin-5-ylaniline (PubChem CID 123832695) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-pyrimidin-5-ylaniline.

Molecular Properties

Compound Name5-chloro-N-methyl-2-pyrimidin-5-ylaniline
PubChem CID123832695
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name5-chloro-N-methyl-2-pyrimidin-5-ylaniline
SMILESCNc1cc(Cl)ccc1-c1cncnc1
InChIInChI=1S/C11H10ClN3/c1-13-11-4-9(12)2-3-10(11)8-5-14-7-15-6-8/h2-7,13H,1H3
InChIKeyRCBYIPSTXCSJNU-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-pyrimidin-5-ylphenyl)methanamine
CID 66160696
4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 12589570
N-[(5-chloro-2-pyrimidin-5-ylphenyl)methyl]cyclopropanamine
CID 66160891
2,4-dichloro-N-methylaniline
CID 2800935
5-chloro-N-ethyl-2-phenylaniline
CID 156564170
5-(5-chloro-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977013
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
5-chloro-N-methyl-2-methylsulfanylaniline
CID 82264896
N-methyl-1-(2-pyrimidin-5-ylphenyl)methanamine
CID 62489827
5-(2-methylphenyl)pyrimidine
CID 4188102
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-pyrimidin-5-ylaniline?
The IUPAC name of 5-chloro-N-methyl-2-pyrimidin-5-ylaniline (CID 123832695) is 5-chloro-N-methyl-2-pyrimidin-5-ylaniline.
What is the SMILES notation for 5-chloro-N-methyl-2-pyrimidin-5-ylaniline?
The canonical SMILES for 5-chloro-N-methyl-2-pyrimidin-5-ylaniline is CNc1cc(Cl)ccc1-c1cncnc1.
What is the InChIKey of 5-chloro-N-methyl-2-pyrimidin-5-ylaniline?
The InChIKey is RCBYIPSTXCSJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-13-11-4-9(12)2-3-10(11)8-5-14-7-15-6-8/h2-7,13H,1H3.
What are the key properties of 5-chloro-N-methyl-2-pyrimidin-5-ylaniline?
5-chloro-N-methyl-2-pyrimidin-5-ylaniline has a molecular weight of 219.68 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-pyrimidin-5-ylaniline is sourced from PubChem (CID 123832695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).