4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine

C17H24N4 — CID 80751666

IUPAC4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1cccc(C)c1C
InChIInChI=1S/C17H24N4/c1-5-8-14-16(18-6-2)19-11-20-17(14)21-15-10-7-9-12(3)13(15)4/h7,9-11H,5-6,8H2,1-4H3,(H2,18,19,20,21)
InChIKeyVLGXXAOEYGNWQA-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.22
Rot. Bonds6

About 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine

4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80751666) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
PubChem CID80751666
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1Nc1cccc(C)c1C
InChIInChI=1S/C17H24N4/c1-5-8-14-16(18-6-2)19-11-20-17(14)21-15-10-7-9-12(3)13(15)4/h7,9-11H,5-6,8H2,1-4H3,(H2,18,19,20,21)
InChIKeyVLGXXAOEYGNWQA-UHFFFAOYSA-N
XLogP4.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (CID 80751666) is 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1Nc1cccc(C)c1C.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is VLGXXAOEYGNWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-8-14-16(18-6-2)19-11-20-17(14)21-15-10-7-9-12(3)13(15)4/h7,9-11H,5-6,8H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80751666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).