2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine

C15H23N5 — CID 80991880

IUPAC2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(-n2ccnc2C)c1C
InChIInChI=1S/C15H23N5/c1-7-16-12-10(2)13(20-9-8-17-11(20)3)19-14(18-12)15(4,5)6/h8-9H,7H2,1-6H3,(H,16,18,19)
InChIKeyQATROKMUUMYMBZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds3

About 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine

2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine (PubChem CID 80991880) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
PubChem CID80991880
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(-n2ccnc2C)c1C
InChIInChI=1S/C15H23N5/c1-7-16-12-10(2)13(20-9-8-17-11(20)3)19-14(18-12)15(4,5)6/h8-9H,7H2,1-6H3,(H,16,18,19)
InChIKeyQATROKMUUMYMBZ-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-tert-butyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]hydrazine
CID 81001897
N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidin-4-amine
CID 80992338
2-tert-butyl-N-ethyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanylpyrimidin-4-amine
CID 80990667
2-cyclopropyl-5-methyl-6-(2-methylimidazol-1-yl)-N-propylpyrimidin-4-amine
CID 80992611
2-tert-butyl-6-(4-chloro-3-methylpyrazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80989029
N-ethyl-6-(2-ethylimidazol-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80992986
2-tert-butyl-4-chloro-6-(2-methylimidazol-1-yl)pyrimidine
CID 80951019
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80987495
6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110430499
4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine
CID 80978084
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine (CID 80991880) is 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(-n2ccnc2C)c1C.
What is the InChIKey of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
The InChIKey is QATROKMUUMYMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-7-16-12-10(2)13(20-9-8-17-11(20)3)19-14(18-12)15(4,5)6/h8-9H,7H2,1-6H3,(H,16,18,19).
What are the key properties of 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80991880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).