N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine

C18H25N3 — CID 80948151

IUPACN-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cc(C)c(C)cc2C)nc(C(C)C)n1
InChIInChI=1S/C18H25N3/c1-7-19-17-10-16(20-18(21-17)11(2)3)15-9-13(5)12(4)8-14(15)6/h8-11H,7H2,1-6H3,(H,19,20,21)
InChIKeyLGGGGVHJNNVGAD-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.62
Rot. Bonds4

About N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine

N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine (PubChem CID 80948151) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
PubChem CID80948151
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cc(C)c(C)cc2C)nc(C(C)C)n1
InChIInChI=1S/C18H25N3/c1-7-19-17-10-16(20-18(21-17)11(2)3)15-9-13(5)12(4)8-14(15)6/h8-11H,7H2,1-6H3,(H,19,20,21)
InChIKeyLGGGGVHJNNVGAD-UHFFFAOYSA-N
XLogP4.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-difluoro-4-methylphenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 107514561
N-ethyl-6-(3-methyl-4-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 80952791
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
CID 80952496
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
6-(2-chloro-5-fluorophenyl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 105396158
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320
6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952057
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957160

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine (CID 80948151) is N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine is CCNc1cc(-c2cc(C)c(C)cc2C)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is LGGGGVHJNNVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-7-19-17-10-16(20-18(21-17)11(2)3)15-9-13(5)12(4)8-14(15)6/h8-11H,7H2,1-6H3,(H,19,20,21).
What are the key properties of N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80948151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).