N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine

C15H23N5 — CID 80965264

IUPACN-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(-n2ccc(C(C)C)n2)nc(C(C)C)n1
InChIInChI=1S/C15H23N5/c1-6-16-13-9-14(18-15(17-13)11(4)5)20-8-7-12(19-20)10(2)3/h7-11H,6H2,1-5H3,(H,16,17,18)
InChIKeyLTAOYGVZVWWOHO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine

N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 80965264) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID80965264
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(-n2ccc(C(C)C)n2)nc(C(C)C)n1
InChIInChI=1S/C15H23N5/c1-6-16-13-9-14(18-15(17-13)11(4)5)20-8-7-12(19-20)10(2)3/h7-11H,6H2,1-5H3,(H,16,17,18)
InChIKeyLTAOYGVZVWWOHO-UHFFFAOYSA-N
XLogP3.34
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
6-N-ethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 106106860
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 104961825
N-ethyl-6-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80960827
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80959385
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80959790
N-ethyl-6-(2-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80955848
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
N-ethyl-2-propan-2-yl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 80959285

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine (CID 80965264) is N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine is CCNc1cc(-n2ccc(C(C)C)n2)nc(C(C)C)n1.
What is the InChIKey of N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is LTAOYGVZVWWOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-6-16-13-9-14(18-15(17-13)11(4)5)20-8-7-12(19-20)10(2)3/h7-11H,6H2,1-5H3,(H,16,17,18).
What are the key properties of N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine?
N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80965264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).