6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine

C17H24N4 — CID 80783110

IUPAC6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
SMILESCCCc1ccccc1Nc1nc(C)nc(NCC)c1C
InChIInChI=1S/C17H24N4/c1-5-9-14-10-7-8-11-15(14)21-17-12(3)16(18-6-2)19-13(4)20-17/h7-8,10-11H,5-6,9H2,1-4H3,(H2,18,19,20,21)
InChIKeyOZNZTUWPKPBULX-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.22
Rot. Bonds6

About 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine

6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine (PubChem CID 80783110) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
PubChem CID80783110
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
SMILESCCCc1ccccc1Nc1nc(C)nc(NCC)c1C
InChIInChI=1S/C17H24N4/c1-5-9-14-10-7-8-11-15(14)21-17-12(3)16(18-6-2)19-13(4)20-17/h7-8,10-11H,5-6,9H2,1-4H3,(H2,18,19,20,21)
InChIKeyOZNZTUWPKPBULX-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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Related Compounds

6-N-ethyl-5-methyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80807254
4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 106761016
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 107638626
6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80836692
4-N-(2,4-dimethylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80763640
2,5-dimethyl-4-N-(2-methylsulfanylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 107647170
2-N-ethyl-6-N-(2-propylphenyl)pyridine-2,6-diamine
CID 80807820
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777604
4-N-(4-chloro-2-fluorophenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80800979
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80808085
6-N-ethyl-4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761163

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine (CID 80783110) is 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine is CCCc1ccccc1Nc1nc(C)nc(NCC)c1C.
What is the InChIKey of 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine?
The InChIKey is OZNZTUWPKPBULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-9-14-10-7-8-11-15(14)21-17-12(3)16(18-6-2)19-13(4)20-17/h7-8,10-11H,5-6,9H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine?
6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-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 6-N-ethyl-2,5-dimethyl-4-N-(2-propylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80783110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).