2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine

C18H25N3 — CID 104846876

IUPAC2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine
SMILESCCNc1nc(CC(C)(C)C)nc(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3/c1-6-19-17-13(2)16(14-10-8-7-9-11-14)20-15(21-17)12-18(3,4)5/h7-11H,6,12H2,1-5H3,(H,19,20,21)
InChIKeyVVYYIKGPKPQLAZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.47
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine

2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine (PubChem CID 104846876) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine
PubChem CID104846876
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine
SMILESCCNc1nc(CC(C)(C)C)nc(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3/c1-6-19-17-13(2)16(14-10-8-7-9-11-14)20-15(21-17)12-18(3,4)5/h7-11H,6,12H2,1-5H3,(H,19,20,21)
InChIKeyVVYYIKGPKPQLAZ-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine (CID 104846876) is 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine is CCNc1nc(CC(C)(C)C)nc(-c2ccccc2)c1C.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is VVYYIKGPKPQLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-6-19-17-13(2)16(14-10-8-7-9-11-14)20-15(21-17)12-18(3,4)5/h7-11H,6,12H2,1-5H3,(H,19,20,21).
What are the key properties of 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine?
2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-ethyl-5-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 104846876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).