4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine

C11H10ClN3O2 — CID 14724259

IUPAC4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(Oc2ccccc2Cl)nc(N)n1
InChIInChI=1S/C11H10ClN3O2/c1-16-9-6-10(15-11(13)14-9)17-8-5-3-2-4-7(8)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyDHAAGEIMWBLCCG-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.51
Rot. Bonds3

About 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine

4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine (PubChem CID 14724259) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine
PubChem CID14724259
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(Oc2ccccc2Cl)nc(N)n1
InChIInChI=1S/C11H10ClN3O2/c1-16-9-6-10(15-11(13)14-9)17-8-5-3-2-4-7(8)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyDHAAGEIMWBLCCG-UHFFFAOYSA-N
XLogP2.51
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chlorobenzoic acid;4,6-dimethoxypyrimidin-2-amine
CID 139146085
4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine
CID 39819500
4-methoxy-6-(2-prop-2-enylphenoxy)pyrimidin-2-amine
CID 686101
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
6-(2-chlorophenoxy)pyrimidin-4-amine
CID 80863719
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907
4-(2,3-dichlorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80881232
6-(2-chlorophenoxy)-4-methylpyridin-3-amine
CID 79020774
6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
CID 80862736
sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
CID 175737665
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine
CID 114053294

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine (CID 14724259) is 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine is COc1cc(Oc2ccccc2Cl)nc(N)n1.
What is the InChIKey of 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine?
The InChIKey is DHAAGEIMWBLCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-16-9-6-10(15-11(13)14-9)17-8-5-3-2-4-7(8)12/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine?
4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine has a molecular weight of 251.67 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 14724259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).