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

C13H13Cl2N3O — CID 66327625

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C13H13Cl2N3O/c1-19-13-7-12(17-8-18-13)16-5-4-9-2-3-10(14)6-11(9)15/h2-3,6-8H,4-5H2,1H3,(H,16,17,18)
InChIKeyJMVKAHKSEFACHC-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.45
Rot. Bonds5

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

N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine (PubChem CID 66327625) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
PubChem CID66327625
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCCc2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C13H13Cl2N3O/c1-19-13-7-12(17-8-18-13)16-5-4-9-2-3-10(14)6-11(9)15/h2-3,6-8H,4-5H2,1H3,(H,16,17,18)
InChIKeyJMVKAHKSEFACHC-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
4-(2,4-dichlorophenyl)-6-methoxypyrimidine
CID 50971015
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 79172913
2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66318514

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine (CID 66327625) is N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine is COc1cc(NCCc2ccc(Cl)cc2Cl)ncn1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine?
The InChIKey is JMVKAHKSEFACHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-19-13-7-12(17-8-18-13)16-5-4-9-2-3-10(14)6-11(9)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-methoxypyrimidin-4-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine has a molecular weight of 298.17 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66327625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).