5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

C13H16N4 — CID 80754890

IUPAC5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1cccc(C)c1
InChIInChI=1S/C13H16N4/c1-3-11-12(14)15-8-16-13(11)17-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyZJTLOLUTODSGDO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.67
Rot. Bonds3

About 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80754890) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80754890
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1cccc(C)c1
InChIInChI=1S/C13H16N4/c1-3-11-12(14)15-8-16-13(11)17-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H3,14,15,16,17)
InChIKeyZJTLOLUTODSGDO-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80769140
4-N-(4-bromo-3-fluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80843069
4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80760702
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
6-ethoxy-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148280
4-N-(1,3-benzodioxol-5-yl)-5-ethylpyrimidine-4,6-diamine
CID 80759767
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762731
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 79918947
6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80768345

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 80754890) is 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1cccc(C)c1.
What is the InChIKey of 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ZJTLOLUTODSGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-11-12(14)15-8-16-13(11)17-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80754890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).