6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine

C13H16N4 — CID 11020649

IUPAC6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(C)cc1
InChIInChI=1S/C13H16N4/c1-3-10-11(12(14)17-13(15)16-10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H4,14,15,16,17)
InChIKeyBGGIEUCLTOKUIN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.18
Rot. Bonds2

About 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine

6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 11020649) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID11020649
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc(C)cc1
InChIInChI=1S/C13H16N4/c1-3-10-11(12(14)17-13(15)16-10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H4,14,15,16,17)
InChIKeyBGGIEUCLTOKUIN-UHFFFAOYSA-N
XLogP2.18
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine (CID 11020649) is 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(C)cc1.
What is the InChIKey of 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is BGGIEUCLTOKUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-10-11(12(14)17-13(15)16-10)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine?
6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11020649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).