5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine

C13H14ClN3 — CID 105369517

IUPAC5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
SMILESCc1ccccc1CCNc1ncncc1Cl
InChIInChI=1S/C13H14ClN3/c1-10-4-2-3-5-11(10)6-7-16-13-12(14)8-15-9-17-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyMWCWUVWUMZYLSM-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.09
Rot. Bonds4

About 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine

5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine (PubChem CID 105369517) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
PubChem CID105369517
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
SMILESCc1ccccc1CCNc1ncncc1Cl
InChIInChI=1S/C13H14ClN3/c1-10-4-2-3-5-11(10)6-7-16-13-12(14)8-15-9-17-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyMWCWUVWUMZYLSM-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carboxylic acid
CID 115148987
5-chloro-2-N-methyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80849598
4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 79756018
6-hydrazinyl-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 80930265
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796032
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369
3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 113413714
5-chloro-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 105369294
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine (CID 105369517) is 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine is Cc1ccccc1CCNc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is MWCWUVWUMZYLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-10-4-2-3-5-11(10)6-7-16-13-12(14)8-15-9-17-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine?
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 105369517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).