2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine

C18H16ClN3O2 — CID 166626381

IUPAC2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-23-13-9-5-6-10-14(13)24-16-17(19)21-15(22-18(16)20)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyIMDNKLZTNRQIGX-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.10
Rot. Bonds5

About 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine

2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine (PubChem CID 166626381) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
PubChem CID166626381
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-23-13-9-5-6-10-14(13)24-16-17(19)21-15(22-18(16)20)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyIMDNKLZTNRQIGX-UHFFFAOYSA-N
XLogP4.10
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine (CID 166626381) is 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine is COc1ccccc1Oc1c(N)nc(Cc2ccccc2)nc1Cl.
What is the InChIKey of 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
The InChIKey is IMDNKLZTNRQIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-23-13-9-5-6-10-14(13)24-16-17(19)21-15(22-18(16)20)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,20,21,22).
What are the key properties of 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine?
2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine has a molecular weight of 341.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 166626381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).