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

C13H13Cl2N3 — CID 62786205

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-9-16-7-5-13(18-9)17-6-4-10-2-3-11(14)8-12(10)15/h2-3,5,7-8H,4,6H2,1H3,(H,16,17,18)
InChIKeyLJPWZTOKBLFTSM-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.75
Rot. Bonds4

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

N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 62786205) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID62786205
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-9-16-7-5-13(18-9)17-6-4-10-2-3-11(14)8-12(10)15/h2-3,5,7-8H,4,6H2,1H3,(H,16,17,18)
InChIKeyLJPWZTOKBLFTSM-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

2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881814
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888143
2-(azepan-1-yl)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidin-4-amine
CID 112901497
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886247
6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80785532
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 79172913
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyrazin-2-amine
CID 47370335
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886912
N-cyclopentyl-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363323
6-[2-(2,4-dichlorophenyl)ethylamino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373410

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine (CID 62786205) is N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine is Cc1nccc(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is LJPWZTOKBLFTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-9-16-7-5-13(18-9)17-6-4-10-2-3-11(14)8-12(10)15/h2-3,5,7-8H,4,6H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-2-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]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 62786205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).