6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine

C14H18N4 — CID 80936309

IUPAC6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H18N4/c1-4-14-16-12(9-13(15)17-14)10-5-7-11(8-6-10)18(2)3/h5-9H,4H2,1-3H3,(H2,15,16,17)
InChIKeyMCWHGDGEWZEFHX-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.35
Rot. Bonds3

About 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine

6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine (PubChem CID 80936309) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine
PubChem CID80936309
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C14H18N4/c1-4-14-16-12(9-13(15)17-14)10-5-7-11(8-6-10)18(2)3/h5-9H,4H2,1-3H3,(H2,15,16,17)
InChIKeyMCWHGDGEWZEFHX-UHFFFAOYSA-N
XLogP2.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine (CID 80936309) is 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine?
The InChIKey is MCWHGDGEWZEFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-14-16-12(9-13(15)17-14)10-5-7-11(8-6-10)18(2)3/h5-9H,4H2,1-3H3,(H2,15,16,17).
What are the key properties of 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine?
6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80936309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).