2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

C14H15Cl2N3 — CID 55191562

IUPAC2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(Cl)c(Cl)c2)nc1NC
InChIInChI=1S/C14H15Cl2N3/c1-4-10-8(2)18-13(19-14(10)17-3)9-5-6-11(15)12(16)7-9/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyXGNDLETUKRSQDD-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.36
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine

2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (PubChem CID 55191562) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
PubChem CID55191562
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccc(Cl)c(Cl)c2)nc1NC
InChIInChI=1S/C14H15Cl2N3/c1-4-10-8(2)18-13(19-14(10)17-3)9-5-6-11(15)12(16)7-9/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyXGNDLETUKRSQDD-UHFFFAOYSA-N
XLogP4.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine (CID 55191562) is 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is CCc1c(C)nc(-c2ccc(Cl)c(Cl)c2)nc1NC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
The InChIKey is XGNDLETUKRSQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-4-10-8(2)18-13(19-14(10)17-3)9-5-6-11(15)12(16)7-9/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine?
2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine has a molecular weight of 296.20 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55191562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).