N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine

C24H22N4O3 — CID 141046441

IUPACN-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine
SMILESCOc1cc(OC)nc(Oc2ccccc2N(Cc2ccccc2)c2ccccn2)n1
InChIInChI=1S/C24H22N4O3/c1-29-22-16-23(30-2)27-24(26-22)31-20-13-7-6-12-19(20)28(21-14-8-9-15-25-21)17-18-10-4-3-5-11-18/h3-16H,17H2,1-2H3
InChIKeyUAWZAGRPEGUMDN-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.02
Rot. Bonds8

About N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine

N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine (PubChem CID 141046441) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine
PubChem CID141046441
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine
SMILESCOc1cc(OC)nc(Oc2ccccc2N(Cc2ccccc2)c2ccccn2)n1
InChIInChI=1S/C24H22N4O3/c1-29-22-16-23(30-2)27-24(26-22)31-20-13-7-6-12-19(20)28(21-14-8-9-15-25-21)17-18-10-4-3-5-11-18/h3-16H,17H2,1-2H3
InChIKeyUAWZAGRPEGUMDN-UHFFFAOYSA-N
XLogP5.02
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine?
The IUPAC name of N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine (CID 141046441) is N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine is COc1cc(OC)nc(Oc2ccccc2N(Cc2ccccc2)c2ccccn2)n1.
What is the InChIKey of N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine?
The InChIKey is UAWZAGRPEGUMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-29-22-16-23(30-2)27-24(26-22)31-20-13-7-6-12-19(20)28(21-14-8-9-15-25-21)17-18-10-4-3-5-11-18/h3-16H,17H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine?
N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 141046441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).