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

C17H24N4 — CID 80977184

IUPAC2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C17H24N4/c1-6-15-20-16(18-5)12(4)17(21-15)19-14-10-8-7-9-13(14)11(2)3/h7-11H,6H2,1-5H3,(H2,18,19,20,21)
InChIKeyWHPMJLZSXVAEMD-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.26
Rot. Bonds5

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

2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 80977184) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID80977184
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C17H24N4/c1-6-15-20-16(18-5)12(4)17(21-15)19-14-10-8-7-9-13(14)11(2)3/h7-11H,6H2,1-5H3,(H2,18,19,20,21)
InChIKeyWHPMJLZSXVAEMD-UHFFFAOYSA-N
XLogP4.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 80977184) is 2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(Nc2ccccc2C(C)C)n1.
What is the InChIKey of 2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is WHPMJLZSXVAEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-6-15-20-16(18-5)12(4)17(21-15)19-14-10-8-7-9-13(14)11(2)3/h7-11H,6H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,5-dimethyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80977184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).