4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine

C17H24F2N6 — CID 44822007

IUPAC4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(NC3CCN(C)CC3)n2)c1C
InChIInChI=1S/C17H24F2N6/c1-4-25-11(2)13(10-20-25)14-9-15(16(18)19)23-17(22-14)21-12-5-7-24(3)8-6-12/h9-10,12,16H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyYKJXHHOAVGIGGM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds5

About 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine

4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 44822007) has the molecular formula C17H24F2N6 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID44822007
Molecular FormulaC17H24F2N6
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCn1ncc(-c2cc(C(F)F)nc(NC3CCN(C)CC3)n2)c1C
InChIInChI=1S/C17H24F2N6/c1-4-25-11(2)13(10-20-25)14-9-15(16(18)19)23-17(22-14)21-12-5-7-24(3)8-6-12/h9-10,12,16H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyYKJXHHOAVGIGGM-UHFFFAOYSA-N
XLogP3.11
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine (CID 44822007) is 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine is CCn1ncc(-c2cc(C(F)F)nc(NC3CCN(C)CC3)n2)c1C.
What is the InChIKey of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is YKJXHHOAVGIGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N6/c1-4-25-11(2)13(10-20-25)14-9-15(16(18)19)23-17(22-14)21-12-5-7-24(3)8-6-12/h9-10,12,16H,4-8H2,1-3H3,(H,21,22,23).
What are the key properties of 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 350.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(1-ethyl-5-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 44822007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).