5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine

C25H28Cl2N4O4 — CID 86719245

IUPAC5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1
InChIInChI=1S/C25H28Cl2N4O4/c1-32-20-10-16(15-6-8-28-9-7-15)4-5-19(20)31-25-29-12-17(13-30-25)35-14-18-23(26)21(33-2)11-22(34-3)24(18)27/h4-5,10-13,15,28H,6-9,14H2,1-3H3,(H,29,30,31)
InChIKeySAVIDDHJQAKLQK-UHFFFAOYSA-N
MW519.43 g/mol
LogP5.60
Rot. Bonds9

About 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine

5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 86719245) has the molecular formula C25H28Cl2N4O4 and a molecular weight of 519.43 g/mol. Its IUPAC name is 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
PubChem CID86719245
Molecular FormulaC25H28Cl2N4O4
Molecular Weight519.43 g/mol
Exact Mass518.15
IUPAC Name5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(C2CCNCC2)ccc1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1
InChIInChI=1S/C25H28Cl2N4O4/c1-32-20-10-16(15-6-8-28-9-7-15)4-5-19(20)31-25-29-12-17(13-30-25)35-14-18-23(26)21(33-2)11-22(34-3)24(18)27/h4-5,10-13,15,28H,6-9,14H2,1-3H3,(H,29,30,31)
InChIKeySAVIDDHJQAKLQK-UHFFFAOYSA-N
XLogP5.60
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.43
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine (CID 86719245) is 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine is COc1cc(C2CCNCC2)ccc1Nc1ncc(OCc2c(Cl)c(OC)cc(OC)c2Cl)cn1.
What is the InChIKey of 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is SAVIDDHJQAKLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O4/c1-32-20-10-16(15-6-8-28-9-7-15)4-5-19(20)31-25-29-12-17(13-30-25)35-14-18-23(26)21(33-2)11-22(34-3)24(18)27/h4-5,10-13,15,28H,6-9,14H2,1-3H3,(H,29,30,31).
What are the key properties of 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine?
5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 519.43 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 86719245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).