4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine

C17H14ClN3O2 — CID 90488510

IUPAC4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C17H14ClN3O2/c1-22-13-7-2-3-8-14(13)23-17-15(19)16(20-10-21-17)11-5-4-6-12(18)9-11/h2-10H,19H2,1H3
InChIKeyBZTCPDLOUOMEES-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.18
Rot. Bonds4

About 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine

4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (PubChem CID 90488510) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
PubChem CID90488510
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C17H14ClN3O2/c1-22-13-7-2-3-8-14(13)23-17-15(19)16(20-10-21-17)11-5-4-6-12(18)9-11/h2-10H,19H2,1H3
InChIKeyBZTCPDLOUOMEES-UHFFFAOYSA-N
XLogP4.18
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenoxy)-6-[3-(trifluoromethyl)phenyl]pyrimidin-5-amine
CID 83285562
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 83285566
4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 90488473
6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 174665315
6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine
CID 19135149
2-[6-amino-2-(3-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704951
6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
CID 174463483
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353
4-N-(3-chloro-4-methylphenyl)-6-(2-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546746
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 19095701

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (CID 90488510) is 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is COc1ccccc1Oc1ncnc(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The InChIKey is BZTCPDLOUOMEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-22-13-7-2-3-8-14(13)23-17-15(19)16(20-10-21-17)11-5-4-6-12(18)9-11/h2-10H,19H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine has a molecular weight of 327.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 90488510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).