2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine

C18H27FN6 — CID 91800715

IUPAC2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1nn(-c2ncc(F)c(NC(C)C)n2)c(N)c1C1CCCCC1
InChIInChI=1S/C18H27FN6/c1-4-14-15(12-8-6-5-7-9-12)16(20)25(24-14)18-21-10-13(19)17(23-18)22-11(2)3/h10-12H,4-9,20H2,1-3H3,(H,21,22,23)
InChIKeyDUGNOUFOEKVBOO-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.81
Rot. Bonds5

About 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine

2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine (PubChem CID 91800715) has the molecular formula C18H27FN6 and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
PubChem CID91800715
Molecular FormulaC18H27FN6
Molecular Weight346.45 g/mol
Exact Mass346.23
IUPAC Name2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine
SMILESCCc1nn(-c2ncc(F)c(NC(C)C)n2)c(N)c1C1CCCCC1
InChIInChI=1S/C18H27FN6/c1-4-14-15(12-8-6-5-7-9-12)16(20)25(24-14)18-21-10-13(19)17(23-18)22-11(2)3/h10-12H,4-9,20H2,1-3H3,(H,21,22,23)
InChIKeyDUGNOUFOEKVBOO-UHFFFAOYSA-N
XLogP3.81
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine (CID 91800715) is 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine is CCc1nn(-c2ncc(F)c(NC(C)C)n2)c(N)c1C1CCCCC1.
What is the InChIKey of 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is DUGNOUFOEKVBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN6/c1-4-14-15(12-8-6-5-7-9-12)16(20)25(24-14)18-21-10-13(19)17(23-18)22-11(2)3/h10-12H,4-9,20H2,1-3H3,(H,21,22,23).
What are the key properties of 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine?
2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 346.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-cyclohexyl-3-ethylpyrazol-1-yl)-5-fluoro-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 91800715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).