2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine

C12H11Cl2N3O2 — CID 79633487

IUPAC2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cl)ncc2Cl)c(OC)c1
InChIInChI=1S/C12H11Cl2N3O2/c1-18-7-3-4-9(10(5-7)19-2)16-11-8(13)6-15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXEVBPXFADQNZDO-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.54
Rot. Bonds4

About 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine

2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine (PubChem CID 79633487) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
PubChem CID79633487
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cl)ncc2Cl)c(OC)c1
InChIInChI=1S/C12H11Cl2N3O2/c1-18-7-3-4-9(10(5-7)19-2)16-11-8(13)6-15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXEVBPXFADQNZDO-UHFFFAOYSA-N
XLogP3.54
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine (CID 79633487) is 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine is COc1ccc(Nc2nc(Cl)ncc2Cl)c(OC)c1.
What is the InChIKey of 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is XEVBPXFADQNZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-18-7-3-4-9(10(5-7)19-2)16-11-8(13)6-15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 300.15 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79633487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).