6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine

C16H17N5 — CID 80841993

IUPAC6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H17N5/c1-11(2)14-15(17)18-10-19-16(14)21-9-13(8-20-21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,17,18,19)
InChIKeyKBUNZACFWTVNKK-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.03
Rot. Bonds3

About 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine

6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80841993) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80841993
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H17N5/c1-11(2)14-15(17)18-10-19-16(14)21-9-13(8-20-21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,17,18,19)
InChIKeyKBUNZACFWTVNKK-UHFFFAOYSA-N
XLogP3.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine (CID 80841993) is 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KBUNZACFWTVNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11(2)14-15(17)18-10-19-16(14)21-9-13(8-20-21)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,17,18,19).
What are the key properties of 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine?
6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpyrazol-1-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80841993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).