6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine

C17H14ClN3O2 — CID 156704966

IUPAC6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C17H14ClN3O2/c1-22-12-9-5-6-10-13(12)23-14-15(18)20-17(21-16(14)19)11-7-3-2-4-8-11/h2-10H,1H3,(H2,19,20,21)
InChIKeyIAALPFPZMKVYGK-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.18
Rot. Bonds4

About 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine

6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine (PubChem CID 156704966) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine
PubChem CID156704966
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C17H14ClN3O2/c1-22-12-9-5-6-10-13(12)23-14-15(18)20-17(21-16(14)19)11-7-3-2-4-8-11/h2-10H,1H3,(H2,19,20,21)
InChIKeyIAALPFPZMKVYGK-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine (CID 156704966) is 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine is COc1ccccc1Oc1c(N)nc(-c2ccccc2)nc1Cl.
What is the InChIKey of 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine?
The InChIKey is IAALPFPZMKVYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-22-12-9-5-6-10-13(12)23-14-15(18)20-17(21-16(14)19)11-7-3-2-4-8-11/h2-10H,1H3,(H2,19,20,21).
What are the key properties of 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine?
6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-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 6-chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 156704966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).