N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine

C13H13Cl2N3 — CID 61224338

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C13H13Cl2N3/c1-9-6-13(18-8-17-9)16-5-4-10-2-3-11(14)7-12(10)15/h2-3,6-8H,4-5H2,1H3,(H,16,17,18)
InChIKeyWLSVIQHFDFIUKM-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.75
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine

N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 61224338) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
PubChem CID61224338
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCCc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C13H13Cl2N3/c1-9-6-13(18-8-17-9)16-5-4-10-2-3-11(14)7-12(10)15/h2-3,6-8H,4-5H2,1H3,(H,16,17,18)
InChIKeyWLSVIQHFDFIUKM-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
N-[2-(2,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133299032
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 79172913
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80785532
4-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858266
2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908546
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881814

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine (CID 61224338) is N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine is Cc1cc(NCCc2ccc(Cl)cc2Cl)ncn1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is WLSVIQHFDFIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-9-6-13(18-8-17-9)16-5-4-10-2-3-11(14)7-12(10)15/h2-3,6-8H,4-5H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 61224338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).