6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine

C12H11Cl2N3 — CID 60726986

IUPAC6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
SMILESClc1ccc(CCNc2cc(Cl)ncn2)cc1
InChIInChI=1S/C12H11Cl2N3/c13-10-3-1-9(2-4-10)5-6-15-12-7-11(14)16-8-17-12/h1-4,7-8H,5-6H2,(H,15,16,17)
InChIKeyUEWPWWCLDHLBFX-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.44
Rot. Bonds4

About 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine

6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine (PubChem CID 60726986) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
PubChem CID60726986
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
SMILESClc1ccc(CCNc2cc(Cl)ncn2)cc1
InChIInChI=1S/C12H11Cl2N3/c13-10-3-1-9(2-4-10)5-6-15-12-7-11(14)16-8-17-12/h1-4,7-8H,5-6H2,(H,15,16,17)
InChIKeyUEWPWWCLDHLBFX-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
CID 175661994
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyrimidin-4-amine
CID 114156623
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
N-[2-(1,3-benzoxazol-6-yl)ethyl]-6-chloropyrimidin-4-amine
CID 135380621
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112862542
6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112862527
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858580
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112862560
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine (CID 60726986) is 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine is Clc1ccc(CCNc2cc(Cl)ncn2)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine?
The InChIKey is UEWPWWCLDHLBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-10-3-1-9(2-4-10)5-6-15-12-7-11(14)16-8-17-12/h1-4,7-8H,5-6H2,(H,15,16,17).
What are the key properties of 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine?
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine has a molecular weight of 268.15 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 60726986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).