5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine

C14H16ClN3 — CID 25099412

IUPAC5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
SMILESCCc1nc(N)nc(CC)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-3-11-13(9-5-7-10(15)8-6-9)12(4-2)18-14(16)17-11/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyXGZBSMCYTULAMJ-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.50
Rot. Bonds3

About 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine

5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine (PubChem CID 25099412) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
PubChem CID25099412
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
SMILESCCc1nc(N)nc(CC)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-3-11-13(9-5-7-10(15)8-6-9)12(4-2)18-14(16)17-11/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyXGZBSMCYTULAMJ-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine (CID 25099412) is 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine is CCc1nc(N)nc(CC)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine?
The InChIKey is XGZBSMCYTULAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-3-11-13(9-5-7-10(15)8-6-9)12(4-2)18-14(16)17-11/h5-8H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine?
5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine is sourced from PubChem (CID 25099412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).