N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine

C13H13Cl2N3 — CID 133307821

IUPACN-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C13H13Cl2N3/c1-8-6-12(17-7-16-8)18-9(2)10-4-3-5-11(14)13(10)15/h3-7,9H,1-2H3,(H,16,17,18)
InChIKeyATNUUYZPRLJPNS-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.26
Rot. Bonds3

About N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine

N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 133307821) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
PubChem CID133307821
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C13H13Cl2N3/c1-8-6-12(17-7-16-8)18-9(2)10-4-3-5-11(14)13(10)15/h3-7,9H,1-2H3,(H,16,17,18)
InChIKeyATNUUYZPRLJPNS-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dichlorophenyl)ethyl]-3-methylaniline
CID 114079472
[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133307782
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62483636
N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328797
1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 103777778
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 61225499
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
N-[3-[1-(2,3-dichlorophenyl)ethylamino]phenyl]acetamide
CID 103930892
1-(2,3-dichlorophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 114183185
N-[1-(2,3-dichlorophenyl)ethyl]-5-methoxypentan-1-amine
CID 103779812

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine (CID 133307821) is N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine is Cc1cc(NC(C)c2cccc(Cl)c2Cl)ncn1.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is ATNUUYZPRLJPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-8-6-12(17-7-16-8)18-9(2)10-4-3-5-11(14)13(10)15/h3-7,9H,1-2H3,(H,16,17,18).
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine?
N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133307821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).