6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine

C12H12ClN3O — CID 72928210

IUPAC6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine
SMILESNc1cc(CCOc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C12H12ClN3O/c13-9-1-3-11(4-2-9)17-6-5-10-7-12(14)16-8-15-10/h1-4,7-8H,5-6H2,(H2,14,15,16)
InChIKeyBKWSEIMLHVOYSJ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.33
Rot. Bonds4

About 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine

6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine (PubChem CID 72928210) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine
PubChem CID72928210
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine
SMILESNc1cc(CCOc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C12H12ClN3O/c13-9-1-3-11(4-2-9)17-6-5-10-7-12(14)16-8-15-10/h1-4,7-8H,5-6H2,(H2,14,15,16)
InChIKeyBKWSEIMLHVOYSJ-UHFFFAOYSA-N
XLogP2.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxypropyl)pyrimidin-4-amine
CID 158731917
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
CID 83850617
O-[3-(4-chlorophenoxy)propyl]hydroxylamine;hydrochloride
CID 23437061
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
4-[3-(4-chlorophenoxy)propyl]quinazolin-2-amine
CID 154004906
4-amino-2-[3-(4-chlorophenoxy)propylsulfanyl]-1H-pyrimidin-6-one
CID 135547380
3-[4-(4-chlorophenoxy)butoxy]propan-1-amine
CID 82352662
4-amino-2-[4-(4-chlorophenoxy)butylsulfanyl]-1H-pyrimidin-6-one
CID 136685962
[2-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine (CID 72928210) is 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine is Nc1cc(CCOc2ccc(Cl)cc2)ncn1.
What is the InChIKey of 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine?
The InChIKey is BKWSEIMLHVOYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-1-3-11(4-2-9)17-6-5-10-7-12(14)16-8-15-10/h1-4,7-8H,5-6H2,(H2,14,15,16).
What are the key properties of 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine?
6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine has a molecular weight of 249.70 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 72928210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).