N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C15H23N5 — CID 80976748

IUPACN-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(-c2ccnn2CC)c1C
InChIInChI=1S/C15H23N5/c1-6-16-15-11(5)13(18-14(19-15)10(3)4)12-8-9-17-20(12)7-2/h8-10H,6-7H2,1-5H3,(H,16,18,19)
InChIKeyUUPKWFXLSDCVKJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.22
Rot. Bonds5

About N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80976748) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80976748
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(-c2ccnn2CC)c1C
InChIInChI=1S/C15H23N5/c1-6-16-15-11(5)13(18-14(19-15)10(3)4)12-8-9-17-20(12)7-2/h8-10H,6-7H2,1-5H3,(H,16,18,19)
InChIKeyUUPKWFXLSDCVKJ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80976748) is N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(-c2ccnn2CC)c1C.
What is the InChIKey of N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is UUPKWFXLSDCVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-6-16-15-11(5)13(18-14(19-15)10(3)4)12-8-9-17-20(12)7-2/h8-10H,6-7H2,1-5H3,(H,16,18,19).
What are the key properties of N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-ethylpyrazol-3-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80976748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).