(2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

C19H25FN6O — CID 162748642

IUPAC(2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCNc1nc(F)cc(C2CCN(C(=O)c3cnc(C(C)(C)C)nc3)CC2)n1
InChIInChI=1S/C19H25FN6O/c1-19(2,3)17-22-10-13(11-23-17)16(27)26-7-5-12(6-8-26)14-9-15(20)25-18(21-4)24-14/h9-12H,5-8H2,1-4H3,(H,21,24,25)
InChIKeyHQTOESNJUKSTNX-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.76
Rot. Bonds3

About (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

(2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 162748642) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID162748642
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name(2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCNc1nc(F)cc(C2CCN(C(=O)c3cnc(C(C)(C)C)nc3)CC2)n1
InChIInChI=1S/C19H25FN6O/c1-19(2,3)17-22-10-13(11-23-17)16(27)26-7-5-12(6-8-26)14-9-15(20)25-18(21-4)24-14/h9-12H,5-8H2,1-4H3,(H,21,24,25)
InChIKeyHQTOESNJUKSTNX-UHFFFAOYSA-N
XLogP2.76
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 162748642) is (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is CNc1nc(F)cc(C2CCN(C(=O)c3cnc(C(C)(C)C)nc3)CC2)n1.
What is the InChIKey of (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is HQTOESNJUKSTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-19(2,3)17-22-10-13(11-23-17)16(27)26-7-5-12(6-8-26)14-9-15(20)25-18(21-4)24-14/h9-12H,5-8H2,1-4H3,(H,21,24,25).
What are the key properties of (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
(2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 372.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpyrimidin-5-yl)-[4-[6-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 162748642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).