4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine

C12H12ClN3 — CID 24743463

IUPAC4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine
SMILESCCc1ccc(-c2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C12H12ClN3/c1-2-8-3-5-9(6-4-8)10-7-11(13)16-12(14)15-10/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyYADMGSJJIRDNHK-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.94
Rot. Bonds2

About 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine

4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine (PubChem CID 24743463) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine
PubChem CID24743463
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine
SMILESCCc1ccc(-c2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C12H12ClN3/c1-2-8-3-5-9(6-4-8)10-7-11(13)16-12(14)15-10/h3-7H,2H2,1H3,(H2,14,15,16)
InChIKeyYADMGSJJIRDNHK-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine (CID 24743463) is 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine is CCc1ccc(-c2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine?
The InChIKey is YADMGSJJIRDNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-2-8-3-5-9(6-4-8)10-7-11(13)16-12(14)15-10/h3-7H,2H2,1H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine?
4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 24743463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).